SCHEMBL538430

SCHEMBL538430

NCC(N)c1nc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cn2n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.54
AKT2 P31751 1/20 0.50

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
SCHEMBL867977 0.91 AKT1 (0.53) AKT1AKT2
SCHEMBL867846 0.88 AKT1 (0.56) AKT1AKT2
SCHEMBL15106887 0.85 AKT1 (0.52) AKT1AKT2
SCHEMBL868013 0.85 AKT1 (0.56) AKT1AKT2
SCHEMBL361966 0.84 AKT1 (0.56) AKT1AKT2
SCHEMBL868166 0.83 AKT1 (0.59) AKT1AKT2
SCHEMBL538715 0.83 AKT1 (0.59) AKT1AKT2
SCHEMBL363324 0.83 AKT1 (0.61) AKT1AKT2
SCHEMBL867565 0.82 AKT1 (0.52) AKT1AKT2
SCHEMBL361229 0.82 AKT1 (0.54) 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