SCHEMBL8486248

SCHEMBL8486248

C=CC(=O)Oc1ccc2ncnc(Nc3ccc4[nH]cnc4c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.52
ERBB2 P04626 7/20 0.52
ERBB4 Q15303 2/20 0.52
FYN P06241 5/20 0.51
SRC P12931 5/20 0.51
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
MAPT P10636 1/20 0.46
GRM1 Q13255 1/20 0.46
BLK P51451 1/20 0.46
BMX P51813 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
VCP P55072 1/20 0.45
FBP1 P09467 1/20 0.44
EPHB2 P29323 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44

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
SCHEMBL8486257 0.93 RAF1 (0.55) EGFRERBB2ERBB4FYNSRC
SCHEMBL8150558 0.79 EGFR (0.76) EGFRERBB2ERBB4FYNSRC
SCHEMBL29687408 0.79 MMP12 (0.41) MAPT
SCHEMBL4191995 0.78 EGFR (0.69) EGFRERBB2ERBB4FYNSRC
SCHEMBL7128555 0.78 EGFR (0.47) EGFRERBB2ERBB4FYNSRC
SCHEMBL7128556 0.77 EGFR (0.47) EGFRERBB2ERBB4FYNSRC
SCHEMBL8154615 0.76 EGFR (0.77) EGFRERBB2ERBB4FYNSRC
SCHEMBL22200858 0.72 EGFR (0.61) EGFRERBB2ERBB4FYNSRC
SCHEMBL7126655 0.71 FBP1 (0.46) EGFRERBB2ERBB4RAF1BRAF
SCHEMBL8149145 0.71 EGFR (0.66) EGFRERBB2ERBB4FYNSRC

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-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed