SCHEMBL538068

SCHEMBL538068

O=C(O)NC1(c2ccc(-c3nc4nc(-c5ccccc5)c(Br)n4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.41
TACR3 P29371 1/20 0.39
AKT2 P31751 7/20 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
SCHEMBL360850 0.87 AKT1 (0.44) AKT1TACR3AKT2
SCHEMBL866493 0.87 AKT1 (0.52) AKT1TACR3AKT2
SCHEMBL363205 0.81 AKT1 (0.43) AKT1TACR3AKT2
SCHEMBL869068 0.81 AKT1 (0.60) AKT1AKT2
SCHEMBL361402 0.76 AKT1 (0.51) AKT1TACR3AKT2
SCHEMBL12503412 0.75 AKT1 (0.68) AKT1AKT2
SCHEMBL868228 0.74 AKT1 (0.49) AKT1TACR3AKT2
SCHEMBL12506640 0.74 AKT1 (0.45) AKT1TACR3AKT2
SCHEMBL362980 0.72 AKT1 (0.53) AKT1TACR3AKT2
SCHEMBL12506520 0.72 AKT1 (0.47) AKT1TACR3AKT2

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