SCHEMBL31455298

SCHEMBL31455298

Nc1ccc(-n2c(-c3cccnc3N)nc3ccc(C4CCOCC4)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.53
AKT2 P31751 11/20 0.44
AKT3 Q9Y243 6/20 0.41
BRD4 O60885 2/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL31455404 0.83 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455520 0.83 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455230 0.83 AKT1 (0.56) AKT1AKT2AKT3AOC3
SCHEMBL31455457 0.82 AKT1 (0.47) AKT1AKT2AKT3
SCHEMBL31455571 0.81 AKT1 (0.47) AKT1AKT2AKT3
SCHEMBL31455131 0.75 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL31455193 0.73 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL27227277 0.72 AKT1 (0.55) AKT1AKT2AKT3
SCHEMBL31455033 0.72 AKT1 (0.42) AKT1AKT2AKT3AOC3
SCHEMBL31455224 0.72 AKT1 (0.45) 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