SCHEMBL31455131

SCHEMBL31455131

CC(C)(C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(N)cc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.65
AKT2 P31751 10/20 0.65
AKT3 Q9Y243 6/20 0.65
RPS6KA5 O75582 1/20 0.42

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
SCHEMBL31455288 0.82 AKT1 (0.53) AKT1AKT2AKT3
SCHEMBL2191759 0.81 AKT1 (0.70) AKT1AKT2AKT3RPS6KA5
SCHEMBL2192040 0.79 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL2172556 0.79 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL31455552 0.79 AKT1 (0.49) AKT1AKT2AKT3
SCHEMBL31455284 0.79 AKT1 (0.49) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL31455789 0.78 AKT1 (0.62) AKT1AKT2AKT3
SCHEMBL31455280 0.78 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455703 0.78 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455230 0.78 AKT1 (0.56) 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