SCHEMBL3247413

SCHEMBL3247413

COc1cccc(COC(=O)N(OC2CCN(C)C2)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.55
ROCK1 Q13464 5/20 0.55
CDC42BPA Q5VT25 2/20 0.55
CYP2C9 P11712 1/20 0.46

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
SCHEMBL3244496 0.85 ROCK2 (0.51) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3246278 0.85 ROCK2 (0.44) ROCK2ROCK1CDC42BPA
SCHEMBL3253617 0.79 ROCK2 (0.57) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3246520 0.79 ROCK2 (0.59) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3252562 0.78 ROCK2 (0.56) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3247404 0.78 ROCK2 (0.74) ROCK2ROCK1CDC42BPA
SCHEMBL3239746 0.77 ROCK2 (0.56) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3130772 0.77 ROCK2 (0.55) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3255476 0.77 ROCK2 (0.59) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3245593 0.77 ROCK2 (0.53) ROCK2ROCK1CDC42BPACYP2C9

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed