SCHEMBL31455284

SCHEMBL31455284

CC(C)(C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(NC(=O)[C@H]4CC[C@H](C(=O)O)CC4)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.49
AKT2 P31751 11/20 0.49
AKT3 Q9Y243 10/20 0.49
TRPV1 Q8NER1 1/20 0.43
CYP2C9 P11712 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
SCHEMBL31455552 1.00 AKT1 (0.49) AKT1AKT2AKT3TRPV1CYP2C9
SCHEMBL31455280 0.92 AKT1 (0.48) AKT1AKT2AKT3TRPV1CYP2C9
SCHEMBL31454982 0.91 AKT1 (0.45) AKT1AKT2AKT3CYP2C9
SCHEMBL31455097 0.88 AKT1 (0.55) AKT1AKT2AKT3CYP2C9
SCHEMBL31455404 0.84 AKT1 (0.48) AKT1AKT2AKT3CYP2C9
SCHEMBL31455115 0.84 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455276 0.84 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455520 0.84 AKT1 (0.48) AKT1AKT2AKT3CYP2C9
SCHEMBL31455334 0.83 AKT1 (0.44) AKT1AKT2AKT3CYP2C9
SCHEMBL31455288 0.83 AKT1 (0.53) 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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed