SCHEMBL16986905

SCHEMBL16986905

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.47
AKT2 P31751 14/20 0.47
CHRM4 P08173 1/20 0.40
JAK1 P23458 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
SCHEMBL16986914 0.93 AKT1 (0.48) AKT1AKT2CHRM4
SCHEMBL16986808 0.92 AKT1 (0.49) AKT1AKT2CHRM4
SCHEMBL16986888 0.91 AKT1 (0.52) AKT1AKT2CHRM4
SCHEMBL16986830 0.90 AKT1 (0.51) AKT1AKT2CHRM4
SCHEMBL16986835 0.90 AKT1 (0.47) AKT1AKT2CHRM4
SCHEMBL235319 0.89 AKT1 (0.52) AKT1AKT2
SCHEMBL16986824 0.89 BCHE (0.52) AKT1AKT2CHRM4
SCHEMBL16986876 0.89 AKT1 (0.48) AKT1AKT2CHRM4
SCHEMBL16986864 0.88 AKT1 (0.47) AKT1AKT2CHRM4
SCHEMBL16986890 0.88 AKT1 (0.45) 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