SCHEMBL3434600

SCHEMBL3434600

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1CCN(C=CC=O)C1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.75
ERBB2 P04626 5/20 0.66
KDR P35968 4/20 0.63
EPHB4 P54760 3/20 0.63
AURKA O14965 1/20 0.63
INSR P06213 1/20 0.63
FBP1 P09467 1/20 0.63
PDGFRB P09619 1/20 0.63
FLT4 P35916 1/20 0.63
CLK1 P49759 1/20 0.63
TEK Q02763 1/20 0.63
AURKB Q96GD4 1/20 0.63
EPHA2 P29317 2/20 0.63
FGFR1 P11362 1/20 0.57
FLT1 P17948 1/20 0.57

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
SCHEMBL3390855 1.00 EGFR (0.75) EGFRERBB2KDREPHB4AURKA
SCHEMBL3394991 0.95 EGFR (0.78) EGFRERBB2KDREPHB4AURKA
SCHEMBL10285885 0.90 EGFR (0.81) EGFRERBB2KDREPHB4AURKA
SCHEMBL12743397 0.87 EGFR (0.92) EGFRERBB2KDREPHB4AURKA
SCHEMBL3395232 0.87 EGFR (0.64) EGFRERBB2KDREPHB4EPHA2
SCHEMBL3390840 0.86 EGFR (0.72) EGFRERBB2KDREPHB4EPHA2
SCHEMBL3394869 0.86 EGFR (0.75) EGFRERBB2EPHB4EPHA2
SCHEMBL29623536 0.86 EGFR (1.00) EGFRERBB2KDREPHB4AURKA
SCHEMBL185721 0.86 EGFR (1.00) EGFRERBB2KDREPHB4AURKA
SCHEMBL3391778 0.86 EGFR (0.65) EGFRERBB2KDREPHB4EPHA2

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 claimed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO claimed