SCHEMBL6163771

SCHEMBL6163771

CC(Cc1nn(-c2ccc(Cl)nn2)c2c1C(=O)CC(C(C)C)C2)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHODH Q02127 1/20 0.31

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
SCHEMBL6163506 0.90 CCNA2 (0.35) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6164167 0.88 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2DHODH
SCHEMBL6163994 0.83 HTT (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6167886 0.83 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2DHODH
SCHEMBL6166346 0.83 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2DHODH
SCHEMBL6164838 0.82 CCNA2 (0.41) CCNA2CDK2
SCHEMBL6164260 0.82 ALDH1A1 (0.39) CCNA2CDK2RAB9ASMN1; SMN2DHODH
SCHEMBL6167945 0.81 DHODH (0.37) SMN1; SMN2DHODH
SCHEMBL6770749 0.81 SRC (0.35) SMN1; SMN2DHODH
SCHEMBL6771327 0.80 DHODH (0.32) DHODH

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 4 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 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