SCHEMBL31455334

SCHEMBL31455334

COC(=O)C1CCC(C(=O)Nc2ccc(-n3c(-c4cccnc4N)nc4ccc(C(C)(C)C)cc43)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.44
AKT2 P31751 5/20 0.44
AKT3 Q9Y243 4/20 0.44
ABL1 P00519 2/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 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
SCHEMBL31454982 0.92 AKT1 (0.45) AKT1AKT2AKT3ABL1ALOX15
SCHEMBL31455280 0.91 AKT1 (0.48) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455130 0.89 AKT1 (0.48) AKT1AKT2AKT3ABL1WNT1
SCHEMBL31455029 0.88 AKT1 (0.43) AKT1AKT2AKT3ABL1GSK3B
SCHEMBL31455431 0.87 ABL1 (0.45) AKT1AKT2AKT3ABL1WNT1
SCHEMBL31455035 0.85 AKT1 (0.46) AKT1AKT2AKT3ABL1CYP2C9
SCHEMBL31455682 0.84 AKT1 (0.46) AKT1AKT2AKT3CYP2C9
SCHEMBL31455552 0.83 AKT1 (0.49) AKT1AKT2AKT3CYP2C9
SCHEMBL31455284 0.83 AKT1 (0.49) AKT1AKT2AKT3CYP2C9
SCHEMBL31455703 0.82 AKT1 (0.48) 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