SCHEMBL3249875

SCHEMBL3249875

COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2N(C)CCCN)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.67
ROCK1 Q13464 6/20 0.56
PRKACA P17612 3/20 0.53
PRKACG P22612 3/20 0.53
PRKACB P22694 3/20 0.53

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
SCHEMBL3121519 0.95 ROCK2 (0.69) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3243478 0.93 ROCK2 (0.68) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3130421 0.91 ROCK2 (0.70) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3244210 0.91 ROCK2 (0.81) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL13391230 0.89 ROCK2 (0.72) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3244989 0.87 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL3241441 0.85 ROCK2 (0.85) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3245577 0.84 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL3247453 0.84 ROCK2 (0.73) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3247086 0.84 ROCK2 (0.73) 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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed