SCHEMBL14671622

SCHEMBL14671622

COc1cc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2cc1NC(=O)/C(F)=C\N(C)C

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.67
ERBB2 P04626 15/20 0.67
ERBB4 Q15303 9/20 0.66
JAK3 P52333 6/20 0.58
ABL1 P00519 1/20 0.53
PDGFRB P09619 1/20 0.53
SRC P12931 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL15877083 0.93 EGFR (0.71) EGFRERBB2ERBB4JAK3ABL1
SCHEMBL15877082 0.93 EGFR (0.71) EGFRERBB2ERBB4JAK3ABL1
SCHEMBL17498562 0.85 EGFR (0.78) EGFRERBB2ERBB4JAK3
SCHEMBL17498560 0.85 EGFR (0.78) EGFRERBB2ERBB4JAK3
SCHEMBL15085014 0.85 ERBB2 (0.72) EGFRERBB2ERBB4JAK3
SCHEMBL14671636 0.82 EGFR (0.86) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL3319509 0.82 ERBB2 (0.72) EGFRERBB2ERBB4
SCHEMBL2249724 0.81 EGFR (0.63) EGFRERBB2ERBB4JAK3ABL1
SCHEMBL15064249 0.81 ERBB2 (0.64) EGFRERBB2ERBB4JAK3
SCHEMBL254281 0.81 ERBB2 (0.64) EGFRERBB2ERBB4JAK3

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