SCHEMBL6163976

SCHEMBL6163976

Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2S(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.67
CDK2 P24941 20/20 0.67
CCNO P22674 2/20 0.67
CCNE1 P24864 2/20 0.67
CCNA1 P78396 2/20 0.67
CDK5 Q00535 3/20 0.49
CDK5R1 Q15078 3/20 0.49

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
SCHEMBL6164644 0.81 CCNA2 (0.76) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164739 0.81 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164565 0.81 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165208 0.79 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164744 0.79 CCNA2 (0.72) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6163398 0.79 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
Hydrochloric Acid SCHEMBL6164285 0.78 CCNA2 (0.71) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6162861 0.71 OPRM1 (0.65) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6166973 0.66 CCNA2 (0.73) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165103 0.65 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1

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

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP claimed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US claimed
JP-2002544271-A 2002-12-24 JP claimed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP claimed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO claimed
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed