SCHEMBL31455101

SCHEMBL31455101

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.44
ABL1 P00519 2/20 0.39
PDE4B Q07343 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
PDE4C Q08493 1/20 0.38
AKT2 P31751 2/20 0.37
GSK3B P49841 2/20 0.37
GSK3A P49840 1/20 0.37
MAPK14 Q16539 1/20 0.37
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
SCHEMBL31455029 0.93 AKT1 (0.43) AKT1ABL1BRAFKDRAKT2
SCHEMBL31455286 0.89 ABL1 (0.45) AKT1ABL1AKT2AKT3
SCHEMBL31455166 0.86 AKT1 (0.50) AKT1ABL1AKT2GSK3BAKT3
SCHEMBL31454982 0.86 AKT1 (0.45) AKT1ABL1AKT2AKT3
SCHEMBL31455633 0.85 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL31455906 0.83 AKT1 (0.43) AKT1ABL1AKT2AKT3
SCHEMBL31455139 0.83 AKT1 (0.50) AKT1ABL1AKT2AKT3
SCHEMBL31455431 0.82 ABL1 (0.45) AKT1ABL1AKT2GSK3BAKT3
SCHEMBL31455130 0.81 AKT1 (0.48) AKT1ABL1AKT2GSK3BAKT3
SCHEMBL31455380 0.80 AKT1 (0.49) 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