SCHEMBL31455431

SCHEMBL31455431

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.45
AKT1 P31749 7/20 0.44
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36

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
SCHEMBL31455286 0.93 ABL1 (0.45) ABL1AKT1CYP2C8CYP2D6CYP2C9
SCHEMBL31455029 0.90 AKT1 (0.43) ABL1AKT1KCNH2HRH3GSK3B
SCHEMBL31455130 0.88 AKT1 (0.48) ABL1AKT1WNT1GSK3BDYRK1A
SCHEMBL31455334 0.87 AKT1 (0.44) ABL1AKT1WNT1GSK3BDYRK1A
SCHEMBL31455035 0.85 AKT1 (0.46) ABL1AKT1CYP2C8CYP2D6CYP2C9
SCHEMBL31455739 0.84 AKT1 (0.46) AKT1WNT1DYRK1AAKT2AKT3
SCHEMBL31455914 0.83 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455101 0.82 AKT1 (0.44) ABL1AKT1GSK3BAKT2AKT3
SCHEMBL31454978 0.82 AKT1 (0.45) ABL1AKT1CYP2C8CYP2D6CYP2C9
SCHEMBL31455166 0.80 AKT1 (0.50) ABL1AKT1GSK3BAKT2AKT3

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