SCHEMBL14671648

SCHEMBL14671648

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\N(C)C

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.76
ERBB2 P04626 9/20 0.76
ERBB4 Q15303 3/20 0.64
ABL1 P00519 1/20 0.64
PDGFRB P09619 1/20 0.64
SRC P12931 1/20 0.64
PDGFRA P16234 1/20 0.64
FLT3 P36888 1/20 0.64
LCK P06239 1/20 0.62

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
SCHEMBL15876851 0.92 EGFR (0.90) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL14671695 0.92 EGFR (0.90) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL14671703 0.92 EGFR (0.90) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL14671636 0.87 EGFR (0.86) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876897 0.87 EGFR (1.00) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876896 0.87 EGFR (1.00) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876895 0.87 EGFR (1.00) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL14671702 0.85 EGFR (0.82) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL2249350 0.84 EGFR (0.64) EGFRERBB2ERBB4LCK
SCHEMBL17498511 0.83 EGFR (0.75) EGFRERBB2ERBB4SRCLCK

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