SCHEMBL28776995

SCHEMBL28776995

COc1ccc2c(ccn2-c2nccc(Nc3ccc(-c4cn[nH]c4)cc3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.66
ROCK1 Q13464 7/20 0.66
AURKA O14965 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
TTK P33981 1/20 0.45

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
SCHEMBL29674616 1.00 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL29674761 0.86 ROCK2 (0.65) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL29007158 0.86 ROCK2 (0.65) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL29674653 0.85 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL28776986 0.85 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL29674683 0.84 ROCK2 (0.65) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL28777047 0.84 ROCK2 (0.65) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL16637772 0.83 ROCK2 (0.69) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL16637773 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL29674671 0.78 ROCK1 (0.45) ROCK2ROCK1

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
CN-114573566-B Selective ROCK2 kinase inhibitors 杭州邦顺制药有限公司 2023-05-30 CN disclosed
CN-114573566-A Selective ROCK2 kinase inhibitors 杭州邦顺制药有限公司 2022-06-03 CN disclosed