SCHEMBL16162003

SCHEMBL16162003

NC(=O)Oc1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.81
AURKB Q96GD4 16/20 0.81
RPS6KB1 P23443 8/20 0.81
PDPK1 O15530 1/20 0.58

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
SCHEMBL665499 0.90 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL16162056 0.85 AURKA (0.80) AURKAAURKBRPS6KB1PDPK1
SCHEMBL663887 0.81 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL665310 0.80 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL666499 0.79 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL16161983 0.78 AURKA (0.84) AURKAAURKBRPS6KB1
SCHEMBL665692 0.78 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL664210 0.77 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL666208 0.77 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL16161965 0.76 AURKA (0.81) AURKAAURKBRPS6KB1PDPK1

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-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP claimed