SCHEMBL31455166

SCHEMBL31455166

Nc1ncccc1-c1nc2ccc(-c3ccccc3)cc2n1-c1ccc(NC(=O)C2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.50
AKT2 P31751 7/20 0.44
ABL1 P00519 2/20 0.43
AKT3 Q9Y243 5/20 0.42
GSK3B P49841 1/20 0.40

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
SCHEMBL31455139 0.96 AKT1 (0.50) AKT1AKT2ABL1AKT3
SCHEMBL31455380 0.93 AKT1 (0.49) AKT1AKT2AKT3
SCHEMBL31455130 0.92 AKT1 (0.48) AKT1AKT2ABL1AKT3GSK3B
SCHEMBL31455035 0.90 AKT1 (0.46) AKT1AKT2ABL1AKT3
SCHEMBL31455097 0.90 AKT1 (0.55) AKT1AKT2AKT3
SCHEMBL31454982 0.88 AKT1 (0.45) AKT1AKT2ABL1AKT3
SCHEMBL31454978 0.87 AKT1 (0.45) AKT1AKT2ABL1AKT3
SCHEMBL31455286 0.87 ABL1 (0.45) AKT1AKT2ABL1AKT3
SCHEMBL31455265 0.86 AKT1 (0.45) AKT1AKT2ABL1AKT3GSK3B
SCHEMBL31455307 0.86 AKT1 (0.62) AKT1AKT2AKT3

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