Purvalanol B

Purvalanol B

SCHEMBL27951

CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 14/20 1.00
CDK5R1 Q15078 14/20 1.00
CCNA2 P20248 13/20 1.00
CDK2 P24941 13/20 1.00
CCNA1 P78396 13/20 1.00
CDK1 P06493 7/20 1.00
KDM4E B2RXH2 3/20 1.00
CCNB2 O95067 3/20 1.00
ALDH1A1 P00352 3/20 1.00
CCNB1 P14635 3/20 1.00
CCNB3 Q8WWL7 3/20 1.00
CCNE2 O96020 2/20 1.00
INSR P06213 2/20 1.00
PRKACA P17612 2/20 1.00
PRKACG P22612 2/20 1.00
PRKACB P22694 2/20 1.00
CCNE1 P24864 2/20 1.00
MAPK3 P27361 2/20 1.00
NTRK1 P04629 1/20 1.00
NTRK2 Q16620 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Purvalanol B SCHEMBL23509845 1.00 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Purvalanol B SCHEMBL29546074 1.00 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
Purvalanol B SCHEMBL6932922 1.00 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL13498146 0.93 CDK5 (0.87) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL13497847 0.92 CDK5 (0.86) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14845886 0.91 CDK5 (0.84) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL569370 0.90 CDK5 (0.81) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL17603568 0.87 CDK5 (0.78) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL20694113 0.87 CDK5 (0.77) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL13497968 0.85 CDK5 (0.73) CDK5CDK5R1CCNA2CDK2CCNA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2216 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250116671-A1 Kinase Activity In Tumors INSTITUTE FOR CANCER RES D/B/A THE RES INSTITUTE OF FOX CHASE CANCER CENTER (US) 2025-04-10 US claimed
EP-4529926-A1 METHOD FOR TREATING CANCER BY COMBINING ALKYLATING AGENT PRODRUG AND CELL CYCLE INHIBITOR Ascentawits Pharmaceuticals, Ltd. (CN) 2025-04-02 EP claimed
WO-2025051337-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING ORAL CANCER Afyx Development A/S (DK) 2025-03-13 WO claimed
US-12187698-B2 Crystalline forms of C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. (US) 2025-01-07 US claimed
CN-119233822-A Methods of treating cancer using alkylating agent prodrugs and cell cycle inhibitors in combination 深圳艾欣达伟医药科技有限公司 2024-12-31 CN claimed
US-20240299558-A1 PROTEOLYSIS TARGETING CHIMERAS AND POLYPHARMACOLOGICAL AGENTS TARGETING BCL-2, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-09-12 US claimed
US-20240293557-A1 PROTEOLYSIS TARGETING CHIMERAS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE 2024-09-05 US claimed
US-20240287615-A1 CANCER METHODS UNIVERSITY COLLEGE LONDON (GB) 2024-08-29 US claimed
EP-3554526-B1 LUTEINIZING HORMONE-RELEASING HORMONE RECEPTOR (LHRH-R) CONJUGATES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2024-05-08 EP claimed
EP-4355423-A1 PRECISION MEDICINE FOR SCHIZOPHRENIA AND PSYCHOTIC DISORDERS: OBJECTIVE ASSESSMENT, RISK PREDICTION, PHARMACOGENOMICS, AND REPURPOSED DRUGS Indiana University Research and Technology Corporation (US) 2024-04-24 EP claimed
WO-2003077999-A1 COMBINATION OFA CDK INHIBITOR AND 5-FU FOR THE TREATMENT OF CANCER CYCLACEL LIMITED (GB) 2003-09-25 WO claimed
US-20030125374-A1 Enhancement of taxane-based chemotherapy by a CDK1 antagonist YALE UNIVERSITY 2003-07-03 US claimed
US-20030099944-A1 Combination therapy involving drugs which target cellular proteins and drugs which target pathogen-encoded proteins NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2003-05-29 US claimed
WO-2003039536-A1 ENHANCEMENT OF TAXANE-BASED CHEMOTHERAPY BY A CDK1 ANTAGONIST YALE UNIVERSITY (US) 2003-05-15 WO claimed
WO-2003027317-A2 USE OF ACTIVE SUBSTANCES FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISEASES CAUSED BY CELL GROWTH DISTURBANCES AND TEST SYSTEM FOR DISCOVERY OF SAID ACTIVE SUBSTANCES MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2003-04-03 WO claimed
US-20030060457-A1 Cellular proteins as targets for the treatment of pathogens resistant to drugs that target pathogen-encoded proteins TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2003-03-27 US claimed
WO-2003015689-A2 PHARMACEUTICAL COMPOSITION FOR THE PROPHYLAXIS AND/OR TREATMENT OF VIRUS DISEASES MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2003-02-27 WO claimed
WO-2002089779-A2 COMBINED PREPARATION FOR THE PROPHYLAXIS AND/OR THERAPY OF NERVE CELL AND/OR GLIA CELL DAMAGE USING A NOVEL METHOD OF TREATMENT MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2002-11-14 WO claimed
WO-2002053096-A2 SINGLE THERAPY AND COMBINATION THERAPY INVOLVING DRUGS WITH TARGET CELLULAR PROTEINS AND DRUGS WHICH TARGET PATHOGEN-ENCODED PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-07-11 WO claimed
WO-2002030410-A2 SUPPRESSION OF CYCLIN KINASE ACTIVITY FOR PREVENTION AND TREATMENT OF INFECTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-04-18 WO claimed