SCHEMBL3389209

SCHEMBL3389209

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OC1CCN(C=CC=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.66
ERBB2 P04626 3/20 0.61
FLT1 P17948 3/20 0.59
KDR P35968 3/20 0.59
RAF1 P04049 1/20 0.59
FGFR2 P21802 1/20 0.59
FLT4 P35916 1/20 0.59
TEK Q02763 1/20 0.59
RIPK2 O43353 1/20 0.55
RET P07949 1/20 0.55
MET P08581 1/20 0.55
EPHB2 P29323 1/20 0.55
TEC P42680 1/20 0.55
EPHB4 P54760 1/20 0.55
EPHA4 P54764 1/20 0.55
BTK Q06187 1/20 0.55
KCNH2 Q12809 1/20 0.55
TNK1 Q13470 1/20 0.55
RIPK3 Q9Y572 1/20 0.55
FGFR1 P11362 1/20 0.54

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
SCHEMBL3394754 0.93 EGFR (0.61) EGFRERBB2FLT1KDRRAF1
SCHEMBL3391929 0.92 EGFR (0.73) EGFRERBB2FLT1KDRRIPK2
SCHEMBL3391766 0.86 EGFR (0.73) EGFRERBB2RIPK2RETMET
SCHEMBL3389206 0.86 EGFR (0.89) EGFRERBB2FLT1KDRRAF1
Hydrochloric Acid SCHEMBL14843125 0.85 EGFR (0.72) EGFRERBB2RIPK2RETMET
SCHEMBL3395104 0.85 EGFR (0.63) EGFRERBB2FLT1KDRRIPK2
SCHEMBL3391493 0.84 EGFR (0.72) EGFRERBB2FLT1KDRRIPK2
SCHEMBL3394887 0.84 EGFR (0.69) EGFRERBB2FLT1KDRRIPK2
SCHEMBL3394737 0.83 EGFR (0.68) EGFRERBB2FLT1KDRRAF1
SCHEMBL3391893 0.82 KDR (0.64) EGFRERBB2FLT1KDRRAF1

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