SCHEMBL31455139

SCHEMBL31455139

Nc1ncccc1-c1nc2ccc(-c3ccccc3)cc2n1-c1ccc(NC(=O)C2CCC(C(=O)O)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.50
AKT2 P31751 11/20 0.43
AKT3 Q9Y243 9/20 0.43
ABL1 P00519 1/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2C8 P10632 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL31455380 0.97 AKT1 (0.49) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455166 0.96 AKT1 (0.50) AKT1AKT2AKT3ABL1
SCHEMBL31455035 0.93 AKT1 (0.46) AKT1AKT2AKT3ABL1CYP2C9
SCHEMBL31455130 0.90 AKT1 (0.48) AKT1AKT2AKT3ABL1CYP2C9
SCHEMBL31454978 0.90 AKT1 (0.45) AKT1AKT2AKT3ABL1CYP2C9
SCHEMBL31455393 0.88 AKT1 (0.61) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455097 0.86 AKT1 (0.55) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455075 0.85 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31454982 0.85 AKT1 (0.45) AKT1AKT2AKT3ABL1CYP2C9
SCHEMBL31455307 0.84 AKT1 (0.62) AKT1AKT2AKT3CYP2C9CYP2C8

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