SCHEMBL31455126

SCHEMBL31455126

COC(=O)C1CCC(C(=O)Nc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)cc43)c(C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.43
ABL1 P00519 4/20 0.41
GSK3B P49841 4/20 0.38
AKT2 P31751 4/20 0.37
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
AKT3 Q9Y243 3/20 0.37
TNK2 Q07912 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL31455265 0.93 AKT1 (0.45) AKT1ABL1GSK3BAKT2AKT3
SCHEMBL31455130 0.88 AKT1 (0.48) AKT1ABL1GSK3BAKT2WNT1
SCHEMBL31455032 0.87 AKT1 (0.54) AKT1AKT2AKT3CYP2C9
SCHEMBL31455439 0.87 AKT1 (0.54) AKT1AKT2AKT3CYP2C9
SCHEMBL31455477 0.87 AKT1 (0.46) AKT1ABL1GSK3BAKT2DYRK1A
SCHEMBL31455035 0.84 AKT1 (0.46) AKT1ABL1AKT2AKT3CYP2C9
SCHEMBL31455947 0.84 AKT1 (0.44) AKT1AKT2AKT3
SCHEMBL31455448 0.84 AKT1 (0.52) AKT1AKT2AKT3CYP2C9
SCHEMBL31455849 0.83 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL31455851 0.83 AKT1 (0.46) 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