SCHEMBL3246271

SCHEMBL3246271

Cc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OC2CCN(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.57
CDC42BPA Q5VT25 5/20 0.57
ROCK1 Q13464 4/20 0.57
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL13391161 0.88 ROCK2 (0.62) ROCK2CDC42BPAROCK1LCKSRC
SCHEMBL3129042 0.88 ROCK2 (0.60) ROCK2CDC42BPAROCK1
SCHEMBL3247404 0.87 ROCK2 (0.74) ROCK2CDC42BPAROCK1
SCHEMBL3246921 0.87 ROCK2 (0.54) ROCK2CDC42BPAROCK1
SCHEMBL13391129 0.84 ROCK2 (0.67) ROCK2CDC42BPAROCK1
SCHEMBL3124049 0.82 ROCK2 (0.60) ROCK2CDC42BPAROCK1KDR
SCHEMBL3248676 0.81 ROCK2 (0.58) ROCK2CDC42BPAROCK1
SCHEMBL3248596 0.81 ROCK2 (0.53) ROCK2CDC42BPAROCK1
SCHEMBL3252386 0.81 ROCK2 (0.57) ROCK2CDC42BPAROCK1
SCHEMBL3251643 0.80 ROCK2 (0.45) ROCK2CDC42BPAROCK1

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