SCHEMBL31455230

SCHEMBL31455230

Nc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCOCC4)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.56
AKT2 P31751 8/20 0.47
AOC3 Q16853 3/20 0.45
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKT3 Q9Y243 5/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
MAPK1 P28482 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
SCHEMBL31455298 0.83 AKT1 (0.53) AKT1AKT2AOC3AKT3
SCHEMBL31455458 0.81 AKT1 (0.49) AKT1AKT2MAPTAKT3
SCHEMBL31455115 0.81 AKT1 (0.48) AKT1AKT2MAPTSMN1; SMN2AKT3
SCHEMBL31455276 0.81 AKT1 (0.48) AKT1AKT2MAPTSMN1; SMN2AKT3
SCHEMBL31455214 0.79 AKT1 (0.47) AKT1AKT2MAPTAKT3
SCHEMBL31455131 0.78 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL25386232 0.75 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL30574959 0.75 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL30574962 0.75 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL25384795 0.74 AKT1 (0.71) 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