SCHEMBL6164726

SCHEMBL6164726

CC1CC(=O)c2c(C(C)(C)C)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 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41
CSNK2A1 P68400 3/20 0.41
ABCG2 Q9UNQ0 3/20 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
SCHEMBL6164779 0.85 SMN1; SMN2 (0.44) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6164944 0.84 CCNA2 (0.62) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6164677 0.83 ABCG2 (0.41) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6166612 0.81 CCNA2 (0.47) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6163369 0.81 CCNA2 (0.47) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6167327 0.81 ALDH1A1 (0.48) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6165077 0.81 CCNA2 (0.45) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6166197 0.80 CCNA2 (0.41) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6165013 0.79 CCNA2 (0.46) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6164595 0.79 CCNA2 (0.47) CCNA2CDK2ALDH1A1SMN1; SMN2MAPT

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