SCHEMBL27740980

SCHEMBL27740980

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
SRC P12931 5/20 0.56
KDR P35968 4/20 0.53
ABL1 P00519 6/20 0.53
MET P08581 2/20 0.46
FGFR4 P22455 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
CDK8 P49336 1/20 0.45
EPHX2 P34913 1/20 0.45
RAF1 P04049 1/20 0.45

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
SCHEMBL27720112 0.92 EPHX2 (0.50) MAPK14SRCKDRABL1MET
SCHEMBL27740982 0.91 KDR (0.53) MAPK14SRCKDREPHX2RAF1
SCHEMBL27720106 0.84 RAF1 (0.51) MAPK14SRCKDRABL1MET
SCHEMBL27720109 0.84 MAPK14 (0.52) MAPK14SRCKDRMETEPHX2
SCHEMBL27720139 0.84 ALDH1A1 (0.52) MAPK14SRCKDRABL1MET
SCHEMBL27720161 0.83 HTR2A (0.51) MAPK14SRCKDRMETEPHX2
SCHEMBL27740975 0.81 RAB9A (0.50) MAPK14SRCKDRABL1MET
SCHEMBL27720157 0.80 MAPT (0.64) MAPK14SRCKDRABL1MET
SCHEMBL27720100 0.79 BRAF (0.63) MAPK14SRCKDRABL1MET
SCHEMBL27740984 0.78 S1PR1 (0.51) MAPK14SRCKDRABL1MET

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
CN-101298427-B Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 CN disclosed
CN-101298427-A Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH (CN) 2008-11-05 CN disclosed