SCHEMBL31455458

SCHEMBL31455458

CC(C)(C)OC(=O)Nc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCOCC4)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.49
AKT2 P31751 6/20 0.43
AKT3 Q9Y243 6/20 0.43
PRKDC P78527 1/20 0.42
PKM P14618 1/20 0.41
CYP2C9 P11712 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRD4 O60885 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
SCHEMBL31455457 0.87 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455288 0.85 AKT1 (0.53) AKT1AKT2AKT3CYP2C9
SCHEMBL31455488 0.85 AKT1 (0.53) AKT1AKT2AKT3CYP2C9
SCHEMBL31455337 0.84 AKT1 (0.45) AKT1AKT2AKT3CYP2C9
SCHEMBL31455214 0.83 AKT1 (0.47) AKT1AKT2AKT3MAPT
SCHEMBL31455115 0.82 AKT1 (0.48) AKT1AKT2AKT3MAPT
SCHEMBL31455276 0.82 AKT1 (0.48) AKT1AKT2AKT3MAPT
SCHEMBL31455230 0.81 AKT1 (0.56) AKT1AKT2AKT3MAPT
SCHEMBL30574912 0.76 AKT1 (0.58) AKT1AKT2AKT3CYP2C9
SCHEMBL31455184 0.76 AKT1 (0.67) AKT1AKT2AKT3CYP2C9

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