SCHEMBL3244750

SCHEMBL3244750

CN(C)CCSN(C(=O)OCc1ccccc1)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.51
ROCK1 Q13464 4/20 0.43
MYLK4 Q86YV6 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL3241309 0.88 ROCK2 (0.49) ROCK2ROCK1MYLK4CYP2C9CDC42BPA
SCHEMBL3250294 0.82 ROCK2 (0.54) ROCK2ROCK1MYLK4CYP3A4CYP2D6
SCHEMBL3239739 0.80 ROCK2 (0.53) ROCK2ROCK1MYLK4CYP3A4CYP2D6
SCHEMBL3250449 0.78 ROCK2 (0.56) ROCK2ROCK1MYLK4CYP2C9CDC42BPA
SCHEMBL3248444 0.77 ROCK2 (0.55) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3242416 0.74 ROCK2 (0.55) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3244746 0.72 ROCK2 (0.57) ROCK2ROCK1CDC42BPA
SCHEMBL3237795 0.72 ROCK2 (0.47) ROCK2ROCK1MYLK4CYP3A4CYP2D6
SCHEMBL3242878 0.72 ROCK2 (0.58) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3124374 0.71 ROCK2 (0.64) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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