SCHEMBL3246520

SCHEMBL3246520

COc1cccc(COC(=O)N(OCCN2CCOCC2)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.59
ROCK1 Q13464 7/20 0.59
CYP2C9 P11712 1/20 0.45
CDC42BPA Q5VT25 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
SCHEMBL3247220 0.91 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL3242878 0.85 ROCK2 (0.58) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3253617 0.85 ROCK2 (0.57) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3239746 0.83 ROCK2 (0.56) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3255476 0.83 ROCK2 (0.59) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3252562 0.81 ROCK2 (0.56) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3250088 0.80 ROCK2 (0.53) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3247413 0.79 ROCK2 (0.55) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3252336 0.78 ROCK2 (0.51) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3246515 0.78 ROCK2 (0.57) ROCK2ROCK1CDC42BPA

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