SCHEMBL16995252

SCHEMBL16995252

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)NC6CCCC[C@@H]6O)CC5)cc4)nc3n2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.48
AKT2 P31751 13/20 0.48
SMO Q99835 2/20 0.41
CHRM4 P08173 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ACKR3 P25106 2/20 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
SCHEMBL239510 1.00 AKT1 (0.48) AKT1AKT2SMOCHRM4WNT1
SCHEMBL234257 0.91 AKT1 (0.50) AKT1AKT2ACKR3
SCHEMBL237582 0.90 AKT1 (0.51) AKT1AKT2ACKR3
SCHEMBL16986825 0.90 AKT1 (0.44) AKT1AKT2CHRM4
SCHEMBL235764 0.89 AKT1 (0.49) AKT1AKT2ACKR3
SCHEMBL237143 0.89 AKT1 (0.49) AKT1AKT2ACKR3
SCHEMBL236766 0.88 AKT1 (0.53) AKT1AKT2CHRM4WNT1GSK3B
SCHEMBL238162 0.88 AKT1 (0.51) AKT1AKT2CHRM4WNT1GSK3B
SCHEMBL237858 0.88 AKT1 (0.54) AKT1AKT2CHRM4WNT1GSK3B
SCHEMBL237127 0.87 AKT1 (0.61) AKT1AKT2CHRM4WNT1GSK3B

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 disclosed