SCHEMBL3395934

SCHEMBL3395934

COc1cc(Nc2ncnc3cc(OC)c(OC4CCN(C=CC=O)CC4)cc23)c(OC)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
ERBB2 P04626 7/20 0.58
KDR P35968 3/20 0.56
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
EPHB4 P54760 3/20 0.56
RIPK2 O43353 2/20 0.56
SRC P12931 1/20 0.56
NOD1 Q9Y239 1/20 0.56
RET P07949 1/20 0.56
MET P08581 1/20 0.56
EPHB2 P29323 1/20 0.56
TEC P42680 1/20 0.56
EPHA4 P54764 1/20 0.56
BTK Q06187 1/20 0.56
KCNH2 Q12809 1/20 0.56
TNK1 Q13470 1/20 0.56
RIPK3 Q9Y572 1/20 0.56
EPHA2 P29317 2/20 0.55

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
SCHEMBL3433231 0.92 EGFR (0.65) EGFRERBB2KDRFGFR1FLT1
SCHEMBL3390792 0.89 EGFR (0.64) EGFRERBB2KDREPHB4RIPK2
SCHEMBL3431651 0.89 EGFR (0.64) EGFRERBB2KDRFGFR1FLT1
SCHEMBL3391866 0.88 EGFR (0.61) EGFRERBB2KDRFLT1EPHB4
SCHEMBL3391916 0.88 EGFR (0.77) EGFRERBB2KDRFLT1EPHB4
SCHEMBL3391766 0.88 EGFR (0.73) EGFRERBB2EPHB4RIPK2RET
Hydrochloric Acid SCHEMBL14843125 0.87 EGFR (0.72) EGFRERBB2EPHB4RIPK2RET
SCHEMBL3393606 0.87 EGFR (0.64) EGFRERBB2KDRFGFR1FLT1
SCHEMBL3392498 0.87 EGFR (0.64) EGFRERBB2KDRFLT1EPHB4
SCHEMBL3391929 0.86 EGFR (0.73) EGFRERBB2KDRFGFR1FLT1

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