SCHEMBL3393645

SCHEMBL3393645

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OC1CN(C=C(C)C=O)C1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.72
ERBB2 P04626 5/20 0.63
EPHB4 P54760 2/20 0.59
FLT1 P17948 1/20 0.59
EPHA2 P29317 1/20 0.59
KDR P35968 1/20 0.59
RIPK2 O43353 1/20 0.58
RET P07949 1/20 0.58
MET P08581 1/20 0.58
EPHB2 P29323 1/20 0.58
TEC P42680 1/20 0.58
EPHA4 P54764 1/20 0.58
BTK Q06187 1/20 0.58
KCNH2 Q12809 1/20 0.58
TNK1 Q13470 1/20 0.58
RIPK3 Q9Y572 1/20 0.58

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
SCHEMBL3392876 0.88 EGFR (0.72) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3391493 0.88 EGFR (0.72) EGFRERBB2EPHB4FLT1EPHA2
SCHEMBL3391513 0.86 ERBB2 (0.66) EGFRERBB2
SCHEMBL3430437 0.86 ERBB2 (0.65) EGFRERBB2EPHB4FLT1EPHA2
SCHEMBL3390572 0.84 EGFR (1.00) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3393640 0.84 EGFR (0.81) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3422637 0.83 EGFR (0.84) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3424197 0.83 EGFR (0.84) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3691526 0.83 EGFR (0.84) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3394887 0.83 EGFR (0.69) EGFRERBB2EPHB4FLT1EPHA2

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
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO disclosed