SCHEMBL14548628

SCHEMBL14548628

C/C(=N\OCCOS(C)(=O)=O)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(CI)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.51
ERBB2 P04626 18/20 0.51
ERBB4 Q15303 2/20 0.46
MEN1 O00255 1/20 0.46
PIK3C2B O00750 1/20 0.46
MAP2K7 O14733 1/20 0.46
RIPK2 O43353 1/20 0.46
PIK3C2G O75747 1/20 0.46
STK10 O94804 1/20 0.46
ABCB11 O95342 1/20 0.46
ABL1 P00519 1/20 0.46
INSR P06213 1/20 0.46
RET P07949 1/20 0.46
CYP3A4 P08684 1/20 0.46
PDGFRB P09619 1/20 0.46
SRC P12931 1/20 0.46
CYP3A5 P20815 1/20 0.46
ERBB3 P21860 1/20 0.46
CDK2 P24941 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6976550 0.90 EGFR (0.64) EGFRERBB2ERBB4MEN1PIK3C2B
SCHEMBL14548629 0.90 EGFR (0.53) EGFRERBB2ERBB4ABL1INSR
SCHEMBL14548700 0.87 EGFR (0.56) EGFRERBB2ERBB4ABL1INSR
SCHEMBL14548701 0.87 EGFR (0.55) EGFRERBB2ERBB4ABL1INSR
SCHEMBL14548601 0.84 EGFR (0.66) EGFRERBB2ERBB4ABL1INSR
SCHEMBL14548703 0.82 EGFR (0.50) EGFRERBB2ERBB4ABL1INSR
SCHEMBL6959611 0.82 EGFR (0.60) EGFRERBB2ERBB4MEN1PIK3C2B
SCHEMBL14548602 0.82 EGFR (0.60) EGFRERBB2ERBB4ABL1INSR
SCHEMBL9975239 0.81 ERBB2 (0.55) EGFRERBB2ERBB4ABL1INSR
SCHEMBL6980092 0.80 EGFR (0.67) EGFRERBB2ERBB4ABL1INSR

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
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed