SCHEMBL14671641

SCHEMBL14671641

CN(C)/C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.86
ERBB2 P04626 6/20 0.86
GAK O14976 2/20 0.75
ABL1 P00519 2/20 0.75
LCK P06239 2/20 0.75
MET P08581 2/20 0.75
PHKG2 P15735 2/20 0.75
BLK P51451 2/20 0.75
IRAK1 P51617 2/20 0.75
DYRK1A Q13627 2/20 0.75
ERBB4 Q15303 2/20 0.75
HIPK4 Q8NE63 2/20 0.75
EPHA6 Q9UF33 2/20 0.75
CIT O14578 1/20 0.75
EPHB6 O15197 1/20 0.75
RIPK2 O43353 1/20 0.75
STK10 O94804 1/20 0.75
LYN P07948 1/20 0.75
RET P07949 1/20 0.75
CHRM2 P08172 1/20 0.75

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
SCHEMBL15876860 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15876988 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15876859 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15876986 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15877079 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15876856 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15876858 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15876857 0.92 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL14671617 0.87 EGFR (0.71) EGFRERBB2GAKABL1LCK
SCHEMBL15876879 0.87 EGFR (1.00) EGFRERBB2ERBB4RETMST1R

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-2013013640-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF 上海医药集团股份有限公司 (CN) 2013-01-31 WO disclosed