SCHEMBL20216631

SCHEMBL20216631

COc1cc2c(Oc3ncc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3C)ccnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.55
EGFR P00533 6/20 0.54
KIT P10721 4/20 0.54
KDR P35968 6/20 0.52
PDGFRA P16234 1/20 0.51
AURKA O14965 1/20 0.49
RIPK2 O43353 1/20 0.49
ABCB11 O95342 1/20 0.49
ABL1 P00519 1/20 0.49
ERBB2 P04626 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
PGR P06401 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
CHRM2 P08172 1/20 0.49
HCK P08631 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL371852 0.93 AXL (0.56) METEGFRKITKDRPDGFRA
SCHEMBL29693565 0.93 AXL (0.56) METEGFRKITKDRPDGFRA
SCHEMBL1788925 0.85 AXL (0.57) METEGFRKITKDRPDGFRA
SCHEMBL22566543 0.85 MET (0.65) METEGFRKITKDRPDGFRA
SCHEMBL29693452 0.84 AXL (0.69) METEGFRKITKDRPDGFRA
SCHEMBL371542 0.84 AXL (0.69) METEGFRKITKDRPDGFRA
SCHEMBL12024661 0.83 MET (0.67) METEGFRKITKDRPDGFRA
SCHEMBL29693574 0.83 AXL (0.57) METEGFRKITKDRPDGFRA
SCHEMBL371576 0.83 AXL (0.57) METEGFRKITKDRPDGFRA
SCHEMBL374524 0.83 AXL (0.52) METEGFRKITKDRPDGFRA

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