SCHEMBL25529068

SCHEMBL25529068

C[C@@H]1C(=O)N(C)c2cc(-c3ccncc3)ccc2C(=O)N1Cc1cccc(C(=O)NC[C@H]2C[C@@H](O)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.43
ROCK1 Q13464 6/20 0.43
AURKA O14965 1/20 0.36

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
SCHEMBL25528185 1.00 ROCK2 (0.43) ROCK2ROCK1AURKA
SCHEMBL25528475 0.90 CACNA1H (0.36) ROCK2ROCK1AURKA
SCHEMBL25531283 0.90 CACNA1H (0.36) ROCK2ROCK1AURKA
SCHEMBL25531233 0.89 IRAK4 (0.42) ROCK2ROCK1
SCHEMBL25530084 0.89 ROCK2 (0.41) ROCK2ROCK1AURKA
SCHEMBL25528921 0.89 ROCK2 (0.41) ROCK2ROCK1AURKA
SCHEMBL25528480 0.86 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL25528466 0.86 ROCK2 (0.37) ROCK2ROCK1
SCHEMBL25528194 0.86 ROCK2 (0.39) ROCK2ROCK1AURKA
SCHEMBL25529501 0.84 ROCK1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 WO disclosed