SCHEMBL31455165

SCHEMBL31455165

Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(C2CNC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.68
AKT2 P31751 12/20 0.59
AKT3 Q9Y243 3/20 0.48

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
SCHEMBL2192884 0.81 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL2191936 0.80 AKT1 (0.74) AKT1AKT2AKT3
SCHEMBL31455460 0.80 AKT1 (0.49) AKT1AKT2AKT3
SCHEMBL31420356 0.78 AKT1 (0.68) AKT1AKT2AKT3
SCHEMBL31455817 0.78 AKT1 (0.53) AKT1AKT2AKT3
SCHEMBL30802293 0.77 AKT1 (0.85) AKT1AKT2AKT3
SCHEMBL2176225 0.77 AKT1 (0.85) AKT1AKT2AKT3
SCHEMBL31455671 0.76 AKT1 (0.54) AKT1AKT2AKT3
SCHEMBL31455193 0.76 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL31455269 0.76 AKT1 (0.58) AKT1AKT2AKT3

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed