SCHEMBL31455115

SCHEMBL31455115

Nc1ncccc1-c1nc2ccc(N3CCOCC3)cc2n1-c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.48
GBA1 P04062 4/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDPK1 O15530 1/20 0.45
GLA P06280 1/20 0.44
AKT2 P31751 2/20 0.43
AKT3 Q9Y243 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 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 1.00 AKT1 (0.48) AKT1GBA1MAPTALDH1A1KDM4E
SCHEMBL31455214 0.92 AKT1 (0.47) AKT1GBA1MAPTALDH1A1KDM4E
SCHEMBL31455404 0.89 AKT1 (0.48) AKT1GBA1AKT2AKT3
SCHEMBL31455520 0.89 AKT1 (0.48) AKT1GBA1AKT2AKT3
SCHEMBL31455097 0.86 AKT1 (0.55) AKT1AKT2AKT3
SCHEMBL31455552 0.84 AKT1 (0.49) AKT1AKT2AKT3
SCHEMBL31455284 0.84 AKT1 (0.49) AKT1AKT2AKT3
SCHEMBL31455458 0.82 AKT1 (0.49) AKT1MAPTAKT2AKT3
SCHEMBL31455571 0.81 AKT1 (0.47) AKT1GBA1AKT2AKT3
SCHEMBL31455230 0.81 AKT1 (0.56) AKT1MAPTAKT2AKT3SMN1; SMN2

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