SCHEMBL29693452

SCHEMBL29693452

COc1cc2c(Oc3ncc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)ccnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 13/20 0.69
MERTK Q12866 7/20 0.69
MET P08581 14/20 0.62
KDR P35968 6/20 0.62
AURKA O14965 2/20 0.62
RIPK2 O43353 2/20 0.62
ABL1 P00519 2/20 0.62
EGFR P00533 2/20 0.62
ERBB2 P04626 2/20 0.62
NTRK1 P04629 2/20 0.62
LCK P06239 2/20 0.62
LYN P07948 2/20 0.62
RET P07949 2/20 0.62
HCK P08631 2/20 0.62
ADRA2A P08913 2/20 0.62
KIT P10721 2/20 0.62
BCR P11274 2/20 0.62
FGFR1 P11362 2/20 0.62
SRC P12931 2/20 0.62
FLT1 P17948 2/20 0.62

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
SCHEMBL371542 1.00 AXL (0.69) AXLMERTKMETKDRAURKA
SCHEMBL22566543 0.94 MET (0.65) AXLMERTKMETKDRAURKA
SCHEMBL10449247 0.93 MET (0.69) AXLMERTKMETKDRAURKA
SCHEMBL29693565 0.92 AXL (0.56) AXLMERTKMETKDRAURKA
SCHEMBL371852 0.92 AXL (0.56) AXLMERTKMETKDRAURKA
SCHEMBL372418 0.91 AXL (0.70) AXLMERTKMETKDRAURKA
SCHEMBL29693425 0.89 MET (0.77) AXLMERTKMETKDRAURKA
SCHEMBL4398401 0.89 MET (0.77) AXLMERTKMETKDRAURKA
SCHEMBL372085 0.89 MET (0.77) AXLMERTKMETKDRAURKA
SCHEMBL371819 0.88 AXL (0.87) AXLMERTKMETKDRAURKA

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-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP claimed