SCHEMBL16161982

SCHEMBL16161982

CCOc1cc(OC(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.80
AURKA O14965 19/20 0.80

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
SCHEMBL16162132 0.90 RPS6KB1 (0.82) RPS6KB1AURKA
SCHEMBL665191 0.89 RPS6KB1 (1.00) RPS6KB1AURKA
SCHEMBL16162052 0.82 RPS6KB1 (0.79) RPS6KB1AURKA
SCHEMBL664843 0.81 RPS6KB1 (1.00) RPS6KB1AURKA
SCHEMBL664534 0.80 AURKA (1.00) RPS6KB1AURKA
SCHEMBL666327 0.80 RPS6KB1 (1.00) RPS6KB1AURKA
SCHEMBL666984 0.80 AURKA (0.91) RPS6KB1AURKA
SCHEMBL666147 0.80 AURKA (1.00) RPS6KB1AURKA
SCHEMBL667000 0.79 RPS6KB1 (1.00) RPS6KB1AURKA
SCHEMBL16162150 0.79 AURKA (0.78) RPS6KB1AURKA

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