SCHEMBL31455893

SCHEMBL31455893

Nc1ncccc1-c1nc2ccc(-c3ccccc3)cc2n1-c1ccc(CNC(=O)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.65
AKT2 P31751 15/20 0.65
AKT3 Q9Y243 12/20 0.63
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL31455704 0.93 AKT1 (0.61) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455632 0.91 AKT1 (0.69) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455753 0.88 AKT1 (0.58) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455628 0.88 AKT1 (0.60) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455643 0.87 AKT1 (0.85) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455902 0.87 AKT1 (0.84) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455693 0.86 AKT1 (0.81) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455863 0.84 AKT1 (0.83) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455762 0.83 AKT1 (0.63) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31420330 0.83 AKT1 (0.62) AKT1AKT2AKT3CYP2C8CYP2C9

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed