SCHEMBL3244746

SCHEMBL3244746

CN(C)CCSc1cc(-c2cn[nH]c2)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.57
ROCK1 Q13464 3/20 0.44
AKT1 P31749 1/20 0.44
CDC42BPA Q5VT25 1/20 0.43

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
SCHEMBL13391300 0.90 ROCK2 (0.59) ROCK2ROCK1CDC42BPA
SCHEMBL3241298 0.89 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL3245543 0.85 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL13391233 0.84 ROCK2 (0.72) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3250291 0.83 ROCK2 (0.74) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3239730 0.83 ROCK2 (0.59) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3241905 0.81 ROCK2 (0.60) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3250445 0.81 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL3242537 0.80 ROCK2 (0.60) ROCK2ROCK1CDC42BPA
SCHEMBL1253314 0.79 ROCK2 (0.58) ROCK2ROCK1AKT1CDC42BPA

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 2 patents. 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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed