SCHEMBL1418883

SCHEMBL1418883

CCOC(=O)CCN(C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1)CCC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 14/20 0.67
ERBB4 Q15303 2/20 0.62
JAK3 P52333 1/20 0.62
CIT O14578 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
RIPK2 O43353 1/20 0.60
STK10 O94804 1/20 0.60
ABL1 P00519 1/20 0.60
LCK P06239 1/20 0.60
LYN P07948 1/20 0.60
RET P07949 1/20 0.60
CHRM2 P08172 1/20 0.60
MET P08581 1/20 0.60
HCK P08631 1/20 0.60
SRC P12931 1/20 0.60
PHKG2 P15735 1/20 0.60
ADRA2B P18089 1/20 0.60
ERBB3 P21860 1/20 0.60

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
SCHEMBL1418884 1.00 EGFR (0.69) EGFRERBB2ERBB4JAK3CIT
SCHEMBL6995335 0.97 EGFR (0.66) EGFRERBB2ERBB4JAK3CIT
SCHEMBL582305 0.97 EGFR (0.67) EGFRERBB2ERBB4JAK3CIT
SCHEMBL186332 0.97 EGFR (0.67) EGFRERBB2ERBB4JAK3CIT
SCHEMBL3578016 0.92 EGFR (0.72) EGFRERBB2ERBB4JAK3CIT
SCHEMBL3578019 0.92 EGFR (0.72) EGFRERBB2ERBB4JAK3CIT
SCHEMBL1419032 0.92 EGFR (0.67) EGFRERBB2ERBB4JAK3CIT
SCHEMBL1419034 0.92 EGFR (0.67) EGFRERBB2ERBB4JAK3CIT
SCHEMBL6495901 0.91 EGFR (0.73) EGFRERBB2ERBB4JAK3CIT
SCHEMBL6495898 0.91 EGFR (0.73) EGFRERBB2ERBB4JAK3CIT

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
EP-2298746-A1 4-amino- quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP disclosed