SCHEMBL3126809

SCHEMBL3126809

COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCC(=O)N2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.61
ROCK1 Q13464 6/20 0.57
PRKACA P17612 5/20 0.51
PRKACG P22612 5/20 0.51
PRKACB P22694 5/20 0.51
CDC42BPA Q5VT25 1/20 0.49

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
SCHEMBL3244445 0.93 ROCK2 (0.58) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3129388 0.90 ROCK2 (0.56) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3246082 0.88 ROCK2 (0.61) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3247919 0.87 ROCK2 (0.67) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3245171 0.87 ROCK2 (0.69) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3126190 0.86 ROCK2 (0.62) ROCK2ROCK1CDC42BPA
SCHEMBL3249977 0.86 ROCK2 (0.75) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL13391340 0.85 ROCK2 (0.67) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3241175 0.84 ROCK2 (0.68) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3245457 0.84 ROCK2 (0.68) ROCK2ROCK1PRKACAPRKACGPRKACB

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