SCHEMBL31455214

SCHEMBL31455214

COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(-n3c(-c4cccnc4N)nc4ccc(N5CCOCC5)cc43)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.47
GBA1 P04062 4/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDPK1 O15530 1/20 0.43
GLA P06280 1/20 0.42
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
EPHX2 P34913 1/20 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
SCHEMBL31455276 0.92 AKT1 (0.48) AKT1GBA1ALDH1A1KDM4EMAPT
SCHEMBL31455115 0.92 AKT1 (0.48) AKT1GBA1ALDH1A1KDM4EMAPT
SCHEMBL31455571 0.90 AKT1 (0.47) AKT1GBA1AKT2AKT3
SCHEMBL31455280 0.86 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455458 0.83 AKT1 (0.49) AKT1MAPTAKT2AKT3
SCHEMBL31455404 0.81 AKT1 (0.48) AKT1GBA1AKT2AKT3
SCHEMBL31455520 0.81 AKT1 (0.48) AKT1GBA1AKT2AKT3
SCHEMBL31455230 0.79 AKT1 (0.56) AKT1MAPTAKT2AKT3
SCHEMBL31455097 0.78 AKT1 (0.55) AKT1AKT2AKT3
SCHEMBL31455284 0.78 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