SCHEMBL29693431

SCHEMBL29693431

COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2cc1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 12/20 0.88
▸ MET P08581 11/20 0.88
▸ KDR P35968 5/20 0.88
▸ MERTK Q12866 6/20 0.82
▸ RET P07949 3/20 0.72
▸ KIT P10721 3/20 0.72
▸ FLT3 P36888 3/20 0.72
▸ HDAC2 Q92769 2/20 0.72
▸ HDAC8 Q9BY41 2/20 0.72
▸ HDAC6 Q9UBN7 2/20 0.72
▸ PDGFRB P09619 2/20 0.72
▸ FLT1 P17948 4/20 0.71
▸ AURKB Q96GD4 4/20 0.71
▸ AURKA O14965 2/20 0.71
▸ RIPK2 O43353 2/20 0.71
▸ ABL1 P00519 2/20 0.71
▸ EGFR P00533 2/20 0.71
▸ ERBB2 P04626 2/20 0.71
▸ NTRK1 P04629 2/20 0.71
▸ LCK P06239 2/20 0.71

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
SCHEMBL372296 1.00 AXL (0.88) AXLMETKDRMERTKRET
SCHEMBL29693534 1.00 AXL (0.88) AXLMETKDRMERTKRET
SCHEMBL29693516 0.96 AXL (0.88) AXLMETKDRMERTKRET
SCHEMBL4401190 0.96 AXL (0.88) AXLMETKDRMERTKRET
Exelixis SCHEMBL29693473 0.94 MET (1.00) AXLMETKDRMERTKRET
Exelixis SCHEMBL371899 0.94 MET (1.00) AXLMETKDRMERTKRET
SCHEMBL21260785 0.93 MET (0.82) AXLMETKDRMERTKRET
SCHEMBL21201030 0.90 AXL (0.87) AXLMETKDRMERTKRET
SCHEMBL21200712 0.90 AXL (1.00) AXLMETKDRMERTKRET
SCHEMBL30152581 0.90 AXL (0.87) AXLMETKDRMERTKRET

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
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