SCHEMBL16986909

SCHEMBL16986909

COc1ccccc1NC(=O)OC1CCN(Cc2ccc(-c3nc4c(cnc5cc(C)nn54)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.44
AKT2 P31751 5/20 0.44
CHRM3 P20309 10/20 0.44
SLC2A1 P11166 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL16986837 0.94 CHRM2 (0.45) AKT1AKT2CHRM3SLC2A1CHRM2
SCHEMBL16986886 0.92 CHRM3 (0.45) AKT1AKT2CHRM3CHRM2CHRM4
SCHEMBL235380 0.92 AKT1 (0.52) AKT1AKT2CHRM4
SCHEMBL16986824 0.92 BCHE (0.52) AKT1AKT2CHRM3CHRM2CHRM4
SCHEMBL16986906 0.91 AKT1 (0.43) AKT1AKT2CHRM3CHRM2CHRM4
SCHEMBL16986835 0.91 AKT1 (0.47) AKT1AKT2CHRM3CHRM2CHRM4
SCHEMBL16986876 0.90 AKT1 (0.48) AKT1AKT2CHRM3CHRM2CHRM4
SCHEMBL16986860 0.90 AKT1 (0.45) AKT1AKT2CHRM2CHRM4
SCHEMBL16986914 0.90 AKT1 (0.48) AKT1AKT2CHRM2CHRM4
SCHEMBL16986853 0.90 BCHE (0.46) 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