SCHEMBL452388

SCHEMBL452388

COc1ccc(COC(=O)N(COc2cc3nccc(Oc4ccc(N(C(=O)Nc5ccc(F)c(F)c5)C(=O)C5CC5)c(F)c4)c3cc2OC)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 15/20 0.50
KDR P35968 11/20 0.50
AURKB Q96GD4 4/20 0.44
FLT1 P17948 3/20 0.44
KIT P10721 5/20 0.42
FLT3 P36888 2/20 0.42
MET P08581 2/20 0.42
RET P07949 2/20 0.42
DDR1 Q08345 2/20 0.42
AURKA O14965 1/20 0.42
RIPK2 O43353 1/20 0.42
ABCB11 O95342 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
PGR P06401 1/20 0.42
LYN P07948 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL452389 0.84 AURKB (0.55) PDGFRAKDRAURKBFLT1KIT
SCHEMBL453312 0.77 AXL (0.49) KDRMETAXL
SCHEMBL453854 0.75 KDR (0.46) PDGFRAKDRMETAXL
SCHEMBL15880261 0.74 KDR (0.66) KDRAURKBFLT1METRET
SCHEMBL3869673 0.70 KDR (0.66) KDRAURKBFLT1METRET
SCHEMBL5825085 0.69 PDGFRA (0.74) PDGFRAKDRAURKBFLT1KIT
SCHEMBL7482697 0.69 PDGFRA (1.00) PDGFRAKDR
SCHEMBL3861103 0.69 KDR (0.71) KDRAURKBFLT1METAURKA
SCHEMBL469355 0.69 AURKB (0.57) PDGFRAKDRAURKBFLT1KIT
SCHEMBL1877129 0.68 PDGFRA (0.92) PDGFRAKDRKIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621904-A2 COMPOUNDS AS C-MET KINASE INHIBITORS Advenchen Laboratories, LLC (US) 2013-08-07 EP disclosed
WO-2012034055-A2 COMPOUNDS AS C-MET KINASE INHIBITORS ADVENCHEN LABORATORIES, LLC (US) 2012-03-15 WO disclosed