SCHEMBL16986922

SCHEMBL16986922

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(OC(=O)NC6CCC(O)CC6)CC5)cc4)nc3n2n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.48
AKT2 P31751 11/20 0.48
BCHE P06276 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL16986889 0.94 AKT1 (0.49) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986845 0.94 AKT1 (0.48) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986830 0.90 AKT1 (0.51) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986835 0.90 AKT1 (0.47) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL235764 0.90 AKT1 (0.49) AKT1AKT2
SCHEMBL237143 0.90 AKT1 (0.49) AKT1AKT2
SCHEMBL16986876 0.89 AKT1 (0.48) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986824 0.89 BCHE (0.52) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986825 0.89 AKT1 (0.44) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986808 0.89 AKT1 (0.49) AKT1AKT2CHRM4

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-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed