SCHEMBL8488797

SCHEMBL8488797

O=C(O)CC=CC(=O)Oc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.61
ERBB2 P04626 10/20 0.61
ERBB4 Q15303 4/20 0.56
JAK3 P52333 3/20 0.56
KDR P35968 1/20 0.56
TEK Q02763 1/20 0.56
RIPK2 O43353 1/20 0.52
EPHB2 P29323 1/20 0.52
FYN P06241 3/20 0.48
SRC P12931 3/20 0.48
MAPT P10636 1/20 0.47
GRM1 Q13255 1/20 0.47
VCP P55072 1/20 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
SCHEMBL8150558 0.85 EGFR (0.76) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7243231 0.78 AURKA (0.52) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7242229 0.78 EGFR (0.65) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7235041 0.77 EGFR (0.79) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7235049 0.77 EGFR (0.79) EGFRERBB2ERBB4JAK3KDR
SCHEMBL8149145 0.76 EGFR (0.66) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7243002 0.76 EGFR (0.78) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7239777 0.76 EGFR (0.78) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7239782 0.76 EGFR (0.78) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7243000 0.76 EGFR (0.78) EGFRERBB2ERBB4JAK3KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed