WO2005052147A3 - Method of screening for a modulator of cdk4 - Google Patents

Method of screening for a modulator of cdk4 Download PDF

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Publication number
WO2005052147A3
WO2005052147A3 PCT/GB2004/004793 GB2004004793W WO2005052147A3 WO 2005052147 A3 WO2005052147 A3 WO 2005052147A3 GB 2004004793 W GB2004004793 W GB 2004004793W WO 2005052147 A3 WO2005052147 A3 WO 2005052147A3
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WO
WIPO (PCT)
Prior art keywords
cdk4
modulator
screening
assays
modulators
Prior art date
Application number
PCT/GB2004/004793
Other languages
French (fr)
Other versions
WO2005052147A2 (en
Inventor
Campbell Mcinnes
Mark Thomas
Shudong Wang
Janice Mclachlan
Christopher Meades
George Kontopidis
Gavin Wood
Peter Fischer
Original Assignee
Cyclacel Ltd
Campbell Mcinnes
Mark Thomas
Shudong Wang
Janice Mclachlan
Christopher Meades
George Kontopidis
Gavin Wood
Peter Fischer
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Cyclacel Ltd, Campbell Mcinnes, Mark Thomas, Shudong Wang, Janice Mclachlan, Christopher Meades, George Kontopidis, Gavin Wood, Peter Fischer filed Critical Cyclacel Ltd
Publication of WO2005052147A2 publication Critical patent/WO2005052147A2/en
Publication of WO2005052147A3 publication Critical patent/WO2005052147A3/en

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    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N9/00—Enzymes; Proenzymes; Compositions thereof; Processes for preparing, activating, inhibiting, separating or purifying enzymes
    • C12N9/10—Transferases (2.)
    • C12N9/12—Transferases (2.) transferring phosphorus containing groups, e.g. kinases (2.7)
    • C12N9/1205—Phosphotransferases with an alcohol group as acceptor (2.7.1), e.g. protein kinases
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/20—Protein or domain folding
    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12Q—MEASURING OR TESTING PROCESSES INVOLVING ENZYMES, NUCLEIC ACIDS OR MICROORGANISMS; COMPOSITIONS OR TEST PAPERS THEREFOR; PROCESSES OF PREPARING SUCH COMPOSITIONS; CONDITION-RESPONSIVE CONTROL IN MICROBIOLOGICAL OR ENZYMOLOGICAL PROCESSES
    • C12Q1/00—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions
    • C12Q1/48—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions involving transferase
    • C12Q1/485—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions involving transferase involving kinase
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50—Molecular design, e.g. of drugs
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G16C20/64—Screening of libraries
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N2500/00—Screening for compounds of potential therapeutic value
    • G01N2500/04—Screening involving studying the effect of compounds C directly on molecule A (e.g. C are potential ligands for a receptor A, or potential substrates for an enzyme A)
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
    • Y02A—TECHNOLOGIES FOR ADAPTATION TO CLIMATE CHANGE
    • Y02A90/00—Technologies having an indirect contribution to adaptation to climate change
    • Y02A90/10—Information and communication technologies [ICT] supporting adaptation to climate change, e.g. for weather forecasting or climate simulation

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  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Medicinal Chemistry (AREA)
  • Biotechnology (AREA)
  • Organic Chemistry (AREA)
  • Molecular Biology (AREA)
  • Wood Science & Technology (AREA)
  • Biophysics (AREA)
  • Computing Systems (AREA)
  • Zoology (AREA)
  • Genetics & Genomics (AREA)
  • Library & Information Science (AREA)
  • Biochemistry (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Microbiology (AREA)
  • General Engineering & Computer Science (AREA)
  • Immunology (AREA)
  • Analytical Chemistry (AREA)
  • Biomedical Technology (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)

Abstract

The present invention relates to a homology model for CDK4, and the use thereof in assays for the identification of small molecule CDK4 modulators. The invention further relates to CDK4 modulators identified by said assays, and their use in the treatment of CDK4-related disorders such as proliferative disorders.
PCT/GB2004/004793 2003-11-25 2004-11-11 Method of screening for a modulator of cdk4 WO2005052147A2 (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
GB0327380.2 2003-11-25
GBGB0327380.2A GB0327380D0 (en) 2003-11-25 2003-11-25 Method

Publications (2)

Publication Number Publication Date
WO2005052147A2 WO2005052147A2 (en) 2005-06-09
WO2005052147A3 true WO2005052147A3 (en) 2005-11-24

Family

ID=29797769

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/GB2004/004793 WO2005052147A2 (en) 2003-11-25 2004-11-11 Method of screening for a modulator of cdk4

Country Status (2)

Country Link
GB (1) GB0327380D0 (en)
WO (1) WO2005052147A2 (en)

Cited By (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
KR102051881B1 (en) 2010-10-25 2019-12-04 쥐원 쎄라퓨틱스, 인크. Cdk inhibitors

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WO2005113550A1 (en) * 2004-05-20 2005-12-01 Mitsubishi Pharma Corporation Aminopyrimidine derivative and medicinal use thereof
CA2636077C (en) 2006-01-18 2012-01-03 Amgen Inc. Thiazole compounds as protein kinase b (pkb) inhibitors
CA2692713A1 (en) 2007-07-17 2009-01-22 Amgen Inc. Heterocyclic modulators of pkb
CA2693473A1 (en) 2007-07-17 2009-01-22 Amgen Inc. Thiadiazole modulators of pkb
US8691830B2 (en) 2010-10-25 2014-04-08 G1 Therapeutics, Inc. CDK inhibitors
EP2831080B1 (en) 2012-03-29 2017-03-15 Francis Xavier Tavares Lactam kinase inhibitors
CA2906166C (en) 2013-03-15 2023-03-14 G1 Therapeutics, Inc. Hspc-sparing treatments for rb-positive abnormal cellular proliferation
US20140274896A1 (en) * 2013-03-15 2014-09-18 G1 Therapeutics, Inc. Transient Protection of Hematopoietic Stem and Progenitor Cells Against Ionizing Radiation
JP6435315B2 (en) 2013-03-15 2018-12-05 ジー１、セラピューティクス、インコーポレイテッドＧ１ Ｔｈｅｒａｐｅｕｔｉｃｓ， Ｉｎｃ． Highly active antineoplastic and antiproliferative agents
WO2015161288A1 (en) 2014-04-17 2015-10-22 G1 Therapeutics, Inc. Tricyclic lactams for use as anti-neoplastic and anti-proliferative agents
WO2016040848A1 (en) 2014-09-12 2016-03-17 G1 Therapeutics, Inc. Treatment of rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors
WO2016040858A1 (en) 2014-09-12 2016-03-17 G1 Therapeutics, Inc. Combinations and dosing regimes to treat rb-positive tumors
WO2018089518A1 (en) 2016-11-08 2018-05-17 Dana-Farber Cancer Institute, Inc. Compositions and methods of modulating anti-tumor immunity
CN117530948A (en) 2016-12-05 2024-02-09 G1治疗公司 Maintenance of immune response during chemotherapy regimen
JP7229162B2 (en) 2017-01-06 2023-02-27 ジー１ セラピューティクス， インコーポレイテッド Combination therapy for cancer treatment
CN110913861B (en) 2017-06-29 2024-01-09 G1治疗公司 Morphological forms of G1T38 and methods of making the same
US11162083B2 (en) 2018-06-14 2021-11-02 University Of South Carolina Peptide based inhibitors of Raf kinase protein dimerization and kinase activity
SG11202101807SA (en) 2018-08-24 2021-03-30 G1 Therapeutics Inc Improved synthesis of 1,4-diazaspiro[5.5]undecan-3-one
US10988479B1 (en) 2020-06-15 2021-04-27 G1 Therapeutics, Inc. Morphic forms of trilaciclib and methods of manufacture thereof
AU2022320615A1 (en) 2021-07-26 2024-03-14 Celcuity Inc. 1-(4-{[4-(dimethylamino)piperidin-1-yl]carbonyl}phenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea (gedatolisib) and its combinations for use in the treatment of cancer

Non-Patent Citations (3)

* Cited by examiner, † Cited by third party
Title
HONMA TERUKI: "Recent advances in de novo design strategy for practical lead identification.", MEDICINAL RESEARCH REVIEWS, vol. 23, no. 5, September 2003 (2003-09-01), pages 606 - 632, XP002326365, ISSN: 0198-6325 *
MCINNES CAMPBELL ET AL: "Structural determinants of CDK4 inhibition and design of selective ATP competitive inhibitors", CHEMISTRY & BIOLOGY (CAMBRIDGE), vol. 11, no. 4, April 2004 (2004-04-01), pages 525 - 534, XP002326367, ISSN: 1074-5521 *
SONI RAJEEV ET AL: "Inhibition of cyclin-dependent kinase 4 (Cdk4) by fascaplysin, a marine natural product", BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, vol. 275, no. 3, 7 September 2000 (2000-09-07), pages 877 - 884, XP002326366, ISSN: 0006-291X *

Cited By (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
KR102051881B1 (en) 2010-10-25 2019-12-04 쥐원 쎄라퓨틱스, 인크. Cdk inhibitors
KR102186969B1 (en) 2010-10-25 2020-12-04 쥐원 쎄라퓨틱스, 인크. Cdk inhibitors

Also Published As

Publication number Publication date
GB0327380D0 (en) 2003-12-31
WO2005052147A2 (en) 2005-06-09

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