SCHEMBL16219792

SCHEMBL16219792

CC1(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)/C(F)=C\CN2CC[C@@H](OCCO)C2)COC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.65
ERBB2 P04626 11/20 0.65
ERBB4 Q15303 5/20 0.55
SRC P12931 3/20 0.55
ABL1 P00519 2/20 0.55
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
FLT3 P36888 2/20 0.55
KIT P10721 2/20 0.52
ERBB3 P21860 2/20 0.52
BMPR1B O00238 1/20 0.52
CIT O14578 1/20 0.52
MAP2K7 O14733 1/20 0.52
GAK O14976 1/20 0.52
EPHB6 O15197 1/20 0.52
MAP3K7 O43318 1/20 0.52
RIPK2 O43353 1/20 0.52
STK17B O94768 1/20 0.52
STK10 O94804 1/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL16219760 1.00 EGFR (0.65) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219786 0.91 EGFR (0.68) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219790 0.91 EGFR (0.68) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219783 0.91 EGFR (0.76) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219779 0.91 EGFR (0.76) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219768 0.91 EGFR (0.63) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219764 0.91 EGFR (0.63) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219863 0.90 EGFR (0.67) EGFRERBB2ERBB4SRCGAK
SCHEMBL16219865 0.90 EGFR (0.69) EGFRERBB2ERBB4SRCABL1
SCHEMBL16219854 0.90 EGFR (0.69) EGFRERBB2ERBB4SRCABL1

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