SCHEMBL16986916

SCHEMBL16986916

COCCNC(=O)OC1CCN(Cc2ccc(-c3nc4c(cnc5cc(C)nn54)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.45
AKT2 P31751 5/20 0.45
POLB P06746 1/20 0.44
CHRM4 P08173 10/20 0.44
CHRM2 P08172 3/20 0.42
CHRM1 P11229 1/20 0.42
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
SCHEMBL16986851 0.94 AKT1 (0.46) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL16986864 0.93 AKT1 (0.47) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL16986850 0.92 AKT1 (0.45) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL16986830 0.92 AKT1 (0.51) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL16986859 0.91 CHRM4 (0.46) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL16986903 0.91 AKT1 (0.46) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL235225 0.90 AKT1 (0.55) AKT1AKT2POLBCHRM4CHRM2
SCHEMBL16986835 0.90 AKT1 (0.47) AKT1AKT2CHRM4CHRM2BCHE
SCHEMBL16986854 0.90 CHRM4 (0.44) AKT1AKT2CHRM4CHRM2CHRM1
SCHEMBL16986876 0.89 AKT1 (0.48) AKT1AKT2CHRM4CHRM2BCHE

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