SCHEMBL31455882

SCHEMBL31455882

COC(=O)Cc1cccc(CNCc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.67
AKT2 P31751 14/20 0.67
AKT3 Q9Y243 14/20 0.67
CYP2C9 P11712 3/20 0.60
CYP2C8 P10632 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL31455661 0.92 AKT1 (0.70) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455798 0.91 AKT1 (0.75) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455687 0.90 AKT1 (0.79) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455760 0.87 AKT1 (0.74) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455794 0.87 AKT1 (0.84) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455932 0.86 AKT1 (0.64) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455866 0.86 AKT1 (0.57) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455754 0.85 AKT1 (0.79) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455744 0.84 AKT1 (0.79) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL30802400 0.83 AKT1 (0.87) 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