SCHEMBL31455898

SCHEMBL31455898

COc1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(C(=O)O)c4F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.53
AKT2 P31751 11/20 0.53
AKT3 Q9Y243 8/20 0.53
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.43

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
SCHEMBL31455663 0.95 AKT1 (0.50) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455613 0.88 AKT1 (0.55) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455638 0.87 AKT1 (0.55) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455853 0.85 AKT1 (0.53) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455729 0.85 AKT1 (0.51) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455753 0.84 AKT1 (0.58) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455822 0.83 AKT1 (0.56) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455837 0.82 AKT1 (0.54) AKT1AKT2AKT3CYP2C8CYP2C9
SCHEMBL31455926 0.80 AKT1 (0.62) AKT1AKT2AKT3CYP2C9
Hydrochloric Acid SCHEMBL31455644 0.80 AKT1 (0.62) 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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed