SCHEMBL3242878

SCHEMBL3242878

COc1cccc(COC(=O)N(SCCN2CCOCC2)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.58
ROCK1 Q13464 8/20 0.58
CYP2C9 P11712 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44

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
SCHEMBL3246520 0.85 ROCK2 (0.59) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3248444 0.82 ROCK2 (0.55) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3242416 0.81 ROCK2 (0.55) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3242873 0.78 ROCK2 (0.56) ROCK2ROCK1CDC42BPA
SCHEMBL3246237 0.77 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL3247220 0.76 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL3246515 0.74 ROCK2 (0.57) ROCK2ROCK1CDC42BPA
SCHEMBL3254666 0.74 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL3241276 0.74 ROCK2 (0.72) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3249289 0.74 ROCK2 (0.61) ROCK2ROCK1CYP2C9CDC42BPA

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