SCHEMBL453854

SCHEMBL453854

COc1ccc(COC(=O)N(COc2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3cc2OC)C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
PDGFRA P16234 2/20 0.46
MET P08581 16/20 0.44
AXL P30530 2/20 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
SCHEMBL453312 0.89 AXL (0.49) KDRMETAXL
SCHEMBL29487156 0.84 PDGFRA (0.53) KDRPDGFRAMETAXL
SCHEMBL22959969 0.84 PDGFRA (0.53) KDRPDGFRAMETAXL
SCHEMBL3702739 0.81 MET (0.48) KDRPDGFRAMETAXL
SCHEMBL29487188 0.77 PDGFRA (0.59) KDRPDGFRAMETAXL
SCHEMBL174159 0.77 PDGFRA (0.59) KDRPDGFRAMETAXL
SCHEMBL371803 0.77 MET (0.55) KDRPDGFRAMETAXL
SCHEMBL30713842 0.77 MET (0.55) KDRPDGFRAMETAXL
SCHEMBL4483017 0.77 MET (0.55) KDRPDGFRAMETAXL
SCHEMBL452389 0.76 AURKB (0.55) KDRPDGFRAMETAXL

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