SCHEMBL3244046

SCHEMBL3244046

CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)CCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.72
AKT1 P31749 1/20 0.61
ROCK1 Q13464 1/20 0.61
CDC42BPA Q5VT25 2/20 0.59

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
SCHEMBL16006041 0.91 ROCK2 (0.74) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL15742907 0.85 ROCK2 (0.65) ROCK2AKT1ROCK1
SCHEMBL13391233 0.85 ROCK2 (0.72) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL13391093 0.85 ROCK2 (0.73) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL3243323 0.85 ROCK2 (0.83) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL12892490 0.84 ROCK2 (0.70) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL3239736 0.83 ROCK2 (0.92) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL15742690 0.82 ROCK2 (0.72) ROCK2AKT1ROCK1CDC42BPA
SCHEMBL15742764 0.81 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL13819848 0.80 ROCK2 (0.60) ROCK2AKT1ROCK1CDC42BPA

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