SCHEMBL6166197

SCHEMBL6166197

CC1CC(=O)c2c(CC(C)CC(C)(C)C)nn(-c3ccccn3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.41
CDK2 P24941 8/20 0.41
ABCG2 Q9UNQ0 5/20 0.40
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
CSNK2A1 P68400 3/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCNO P22674 1/20 0.34
CCNE1 P24864 1/20 0.34
CCNA1 P78396 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34

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
SCHEMBL6164260 0.89 ALDH1A1 (0.39) CCNA2CDK2ALDH1A1MAPTTHRB
SCHEMBL6165077 0.88 CCNA2 (0.45) CCNA2CDK2ABCG2CSNK2A2CSNK2B
SCHEMBL6163003 0.86 ABCG2 (0.40) CCNA2CDK2ABCG2CSNK2A2CSNK2B
SCHEMBL6164396 0.84 ALDH1A1 (0.41) CCNA2CDK2ABCG2CSNK2A2CSNK2B
SCHEMBL6166206 0.82 OPRM1 (0.42) CCNA2CDK2ALDH1A1MAPTTHRB
SCHEMBL6163506 0.82 CCNA2 (0.35) CCNA2CDK2ABCG2CSNK2A2CSNK2B
SCHEMBL6165013 0.80 CCNA2 (0.46) CCNA2CDK2ABCG2CSNK2A2CSNK2B
SCHEMBL6772625 0.80 CSNK2A2 (0.34) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6164726 0.80 CCNA2 (0.47) CCNA2CDK2ABCG2CSNK2A2CSNK2B
SCHEMBL6770294 0.80 SRC (0.36) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3

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