SCHEMBL538906

SCHEMBL538906

O=C(Nc1ccccc1)N(S)c1nc2nc(-c3ccc(C4([AsH2])CCC4)cc3)c(-c3ccccc3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.41

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
SCHEMBL538843 0.90 AKT1 (0.51) AKT1
SCHEMBL538905 0.79 AKT1 (0.40) AKT1
SCHEMBL538920 0.77 AKT1 (0.51) AKT1
SCHEMBL538490 0.73 AKT1 (0.53) AKT1
SCHEMBL538281 0.72 AKT1 (0.52) AKT1
SCHEMBL867869 0.69 AKT1 (0.56) AKT1
SCHEMBL538842 0.69 AKT1 (0.51) AKT1
SCHEMBL538954 0.68 AKT1 (0.56) AKT1
SCHEMBL361460 0.68 AKT1 (0.56) AKT1
SCHEMBL866809 0.68 AKT1 (0.57) AKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed