SCHEMBL16986906

SCHEMBL16986906

COc1ccc(NC(=O)OC2CCN(Cc3ccc(-c4nc5c(cnc6cc(C)nn65)cc4-c4ccccc4)cc3)CC2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.43
AKT2 P31751 6/20 0.43
BCHE P06276 2/20 0.42
CCR3 P51677 1/20 0.42
CHRM4 P08173 2/20 0.40
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM2 P08172 1/20 0.39
HRH2 P25021 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AKT3 Q9Y243 1/20 0.38
MCHR1 Q99705 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL237514 0.92 AKT1 (0.52) AKT1AKT2GALR3RAB9A
SCHEMBL16986855 0.91 BCHE (0.48) AKT1AKT2BCHECCR3CHRM4
SCHEMBL16986909 0.91 AKT1 (0.44) AKT1AKT2BCHECHRM4CHRM2
SCHEMBL16986824 0.91 BCHE (0.52) AKT1AKT2BCHECCR3CHRM4
SCHEMBL16986853 0.90 BCHE (0.46) AKT1AKT2BCHECCR3CHRM4
SCHEMBL16986917 0.90 BCHE (0.46) AKT1AKT2BCHECCR3CHRM4
SCHEMBL16986886 0.89 CHRM3 (0.45) AKT1AKT2BCHECHRM4CHRM2
SCHEMBL16986925 0.88 BCHE (0.48) AKT1AKT2BCHECCR3CHRM4
SCHEMBL16986833 0.88 BCHE (0.46) AKT1AKT2BCHECCR3CHRM2
SCHEMBL16986874 0.88 AKT1 (0.55) AKT1AKT2BCHECCR3CHRM4

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