SCHEMBL20216698

SCHEMBL20216698

COc1cc2c(Oc3ccc(C)cc3F)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.70
EGFR P00533 9/20 0.70
FGFR1 P11362 6/20 0.70
FLT1 P17948 6/20 0.70
FLT4 P35916 6/20 0.70
TRPA1 O75762 1/20 0.56
RAF1 P04049 1/20 0.49
KIT P10721 1/20 0.49
AXL P30530 1/20 0.49
TYRO3 Q06418 1/20 0.49
MERTK Q12866 1/20 0.49
MET P08581 2/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
RET P07949 1/20 0.45
KIF5B P33176 1/20 0.45

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
SCHEMBL2744934 0.90 EGFR (0.57) KDREGFRFGFR1FLT1FLT4
SCHEMBL15338410 0.87 EGFR (0.63) KDREGFRFGFR1FLT1FLT4
SCHEMBL5571167 0.87 TRPA1 (0.57) KDREGFRFGFR1FLT1FLT4
SCHEMBL2744926 0.86 KDR (0.53) KDREGFRFGFR1FLT1FLT4
SCHEMBL1401640 0.83 KDR (0.65) KDREGFRFGFR1FLT1FLT4
SCHEMBL5143476 0.83 EGFR (0.56) KDREGFRFGFR1FLT1FLT4
SCHEMBL17880567 0.83 KDR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL2136908 0.83 EGFR (1.00) KDREGFRFGFR1FLT1FLT4
SCHEMBL4420668 0.82 KDR (0.61) KDREGFRFGFR1FLT1FLT4
SCHEMBL1401709 0.82 KDR (0.53) KDREGFRFGFR1FLT1FLT4

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
EP-3329918-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2018-06-06 EP disclosed