SCHEMBL538263

SCHEMBL538263

COc1ccc(-c2cccc(-c3cn4nccc4nc3-c3ccc(C4(N)CCC4)cc3)c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.51
AKT2 P31751 12/20 0.51

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
SCHEMBL538219 0.80 AKT1 (0.59) AKT1AKT2
SCHEMBL868528 0.76 AKT1 (0.62) AKT1AKT2
SCHEMBL538262 0.72 AKT1 (0.59) AKT1
SCHEMBL868271 0.72 AKT1 (0.55) AKT1AKT2
SCHEMBL866643 0.68 AKT1 (0.74) AKT1AKT2
SCHEMBL867445 0.68 AKT1 (0.52) AKT1AKT2
SCHEMBL360523 0.68 AKT1 (1.00) AKT1AKT2
SCHEMBL538786 0.67 AKT1 (0.66) AKT1AKT2
SCHEMBL866319 0.67 AKT1 (0.53) AKT1AKT2
SCHEMBL538567 0.67 AKT1 (0.68) AKT1AKT2

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