SCHEMBL16219790

SCHEMBL16219790

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN1CC[C@@H](OCCO)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
ERBB2 P04626 6/20 0.68
ABL1 P00519 1/20 0.59
PDGFRB P09619 1/20 0.59
SRC P12931 1/20 0.59
PDGFRA P16234 1/20 0.59
FLT3 P36888 1/20 0.59
ERBB4 Q15303 1/20 0.59

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
SCHEMBL16219786 1.00 EGFR (0.68) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219779 0.95 EGFR (0.76) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219783 0.95 EGFR (0.76) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219865 0.94 EGFR (0.69) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219854 0.94 EGFR (0.69) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219789 0.93 EGFR (0.65) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219788 0.93 EGFR (0.65) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219760 0.91 EGFR (0.65) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219792 0.91 EGFR (0.65) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL16219768 0.91 EGFR (0.63) EGFRERBB2ABL1PDGFRBSRC

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-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 WO disclosed