SCHEMBL6166406

SCHEMBL6166406

CC1(C)CCC(=O)c2c(-c3ccncc3)nn(-c3ccc(Cl)nn3)c21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK10 P53779 1/20 0.31
SRC P12931 3/20 0.31
KDR P35968 2/20 0.30

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
SCHEMBL6167058 0.90 KDM4E (0.41) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6166604 0.86 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2KDM4E
SCHEMBL6164575 0.83 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6167356 0.83 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6163516 0.83 CCNA2 (0.41) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6162224 0.81 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6162683 0.81 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6166539 0.81 SRC (0.39) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6185430 0.79 CCNA2 (0.43) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6167233 0.76 CDK2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1

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 2 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