SCHEMBL16986908

SCHEMBL16986908

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(OC(=O)NCc6ccncc6)CC5)cc4)nc3n2n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.47
AKT2 P31751 16/20 0.47
CHRM4 P08173 2/20 0.40
AKT3 Q9Y243 1/20 0.39
BCHE P06276 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
SCHEMBL16986903 0.96 AKT1 (0.46) AKT1AKT2CHRM4BCHE
SCHEMBL16986874 0.92 AKT1 (0.55) AKT1AKT2CHRM4BCHE
SCHEMBL16986840 0.91 AKT1 (0.44) AKT1AKT2CHRM4AKT3
SCHEMBL16986830 0.91 AKT1 (0.51) AKT1AKT2CHRM4BCHE
SCHEMBL16986851 0.90 AKT1 (0.46) AKT1AKT2CHRM4BCHE
SCHEMBL16986860 0.90 AKT1 (0.45) AKT1AKT2CHRM4
SCHEMBL238886 0.90 AKT1 (0.56) AKT1AKT2CHRM4
SCHEMBL16986864 0.90 AKT1 (0.47) AKT1AKT2CHRM4BCHE
SCHEMBL16986835 0.90 AKT1 (0.47) AKT1AKT2CHRM4AKT3BCHE
SCHEMBL16986924 0.89 AKT1 (0.44) AKT1AKT2CHRM4BCHE

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