SCHEMBL6164787

SCHEMBL6164787

CC1(C)CCC(=O)c2c(CCC3CCCC3)nn(-c3ccc(Cl)nn3)c21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6167555 0.85 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6167233 0.79 CDK2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6185430 0.79 CCNA2 (0.43) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6167448 0.77 CYP1A2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6167058 0.74 KDM4E (0.41) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6166406 0.74 CCNA2 (0.41) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6166604 0.71 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6163631 0.71 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6164575 0.71 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6162224 0.71 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2

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