SCHEMBL3248059

SCHEMBL3248059

Cc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.57
ROCK1 Q13464 4/20 0.53
KDR P35968 2/20 0.48
CDC42BPA Q5VT25 1/20 0.47
SRC P12931 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46

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
SCHEMBL3249341 0.91 ROCK2 (0.59) ROCK2ROCK1KDRCDC42BPASRC
SCHEMBL3242746 0.91 ROCK2 (0.58) ROCK2ROCK1KDRCDC42BPA
SCHEMBL3248162 0.91 ROCK2 (0.57) ROCK2ROCK1KDRCDC42BPASRC
SCHEMBL3247209 0.88 ROCK2 (0.52) ROCK2ROCK1KDRCDC42BPAKIT
SCHEMBL3241420 0.85 ROCK2 (0.59) ROCK2ROCK1KDRCDC42BPAMAPK14
SCHEMBL3247570 0.84 ROCK2 (0.57) ROCK2ROCK1KDRCDC42BPAMAPK14
SCHEMBL3129438 0.84 ROCK2 (0.68) ROCK2ROCK1KDRCDC42BPA
SCHEMBL3246082 0.84 ROCK2 (0.61) ROCK2ROCK1CDC42BPA
SCHEMBL13390977 0.82 ROCK2 (0.57) ROCK2ROCK1KDRCDC42BPASRC
SCHEMBL3124049 0.81 ROCK2 (0.60) ROCK2ROCK1KDRCDC42BPAKIT

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