SCHEMBL27740976

SCHEMBL27740976

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)cc2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.51
ERBB2 P04626 5/20 0.51
LCK P06239 3/20 0.49
NPC1 O15118 3/20 0.48
PNLIP P16233 2/20 0.48
KCNH2 Q12809 1/20 0.46
KDR P35968 3/20 0.46
AURKA O14965 3/20 0.46
RPS6KB1 P23443 3/20 0.46
RAF1 P04049 2/20 0.46
PLK4 O00444 2/20 0.46
MAPK13 O15264 2/20 0.46
MAP4K4 O95819 2/20 0.46
ABL1 P00519 2/20 0.46
FYN P06241 2/20 0.46
LYN P07948 2/20 0.46
RET P07949 2/20 0.46
SRC P12931 2/20 0.46
EPHA2 P29317 2/20 0.46
AXL P30530 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
SCHEMBL27740978 0.88 PNLIP (0.51) EGFRERBB2LCKNPC1PNLIP
SCHEMBL27720113 0.84 BRAF (0.48) EGFRERBB2LCKNPC1PNLIP
SCHEMBL27720157 0.81 MAPT (0.64) EGFRERBB2LCKNPC1PNLIP
SCHEMBL27720109 0.78 MAPK14 (0.52) EGFRKDRSRCMAPK14MET
SCHEMBL27720100 0.78 BRAF (0.63) EGFRERBB2LCKNPC1PNLIP
SCHEMBL27720129 0.77 MEN1 (0.66) EGFRERBB2LCKNPC1KDR
SCHEMBL27720191 0.77 CDK8 (0.55) LCKNPC1KDRAURKARPS6KB1
SCHEMBL27720107 0.76 MEN1 (0.61) NPC1KDRRAF1MEN1BRAF
SCHEMBL27720106 0.76 RAF1 (0.51) EGFRERBB2LCKNPC1PNLIP
SCHEMBL31084744 0.75 ERBB2 (0.74) EGFRERBB2LCKKCNH2AURKA

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