SCHEMBL31455729

SCHEMBL31455729

COC(=O)c1cccc(C(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4ccc(C(F)(F)F)cc43)cc2)c1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.51
AKT2 P31751 14/20 0.51
AKT3 Q9Y243 11/20 0.51
CYP2C9 P11712 3/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL31455638 0.93 AKT1 (0.55) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455663 0.90 AKT1 (0.50) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455864 0.89 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455898 0.85 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455831 0.84 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455830 0.84 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455528 0.83 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455843 0.81 AKT1 (0.73) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455628 0.81 AKT1 (0.60) AKT1AKT2AKT3CYP2C9CYP2C8
Hydrochloric Acid SCHEMBL31455789 0.78 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