SCHEMBL6166612

SCHEMBL6166612

CC1CC(=O)c2c(C3CC3)nn(-c3ccccn3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.47
CDK2 P24941 8/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
CCNO P22674 1/20 0.39
CCNE1 P24864 1/20 0.39
CCNA1 P78396 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38

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
SCHEMBL6168332 0.85 ALDH1A1 (0.47) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6164944 0.84 CCNA2 (0.62) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6168193 0.84 ABCG2 (0.42) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6164726 0.81 CCNA2 (0.47) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6163369 0.81 CCNA2 (0.47) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6163605 0.81 ALDH1A1 (0.51) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6162155 0.80 OPRM1 (0.57) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6165013 0.79 CCNA2 (0.46) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6165077 0.78 CCNA2 (0.45) CCNA2CDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6162980 0.78 CCNA2 (0.40) CCNA2CDK2ALDH1A1SMN1; SMN2CSNK2A2

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