SCHEMBL31455425

SCHEMBL31455425

COC(=O)C1CCC(N(C)Cc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.36
GSK3A P49840 3/20 0.36
AURKA O14965 2/20 0.36
CPB1 P15086 1/20 0.35
LTA4H P09960 3/20 0.34
VCP P55072 2/20 0.34
TYMS P04818 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MCHR1 Q99705 1/20 0.34
PTK2 Q05397 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL31455172 0.86 LTA4H (0.36) GSK3BGSK3ACPB1LTA4HVCP
SCHEMBL31420344 0.85 NAAA (0.37) GSK3BGSK3AAURKATYMSMAPT
SCHEMBL31455312 0.79 LTA4H (0.45) LTA4H
SCHEMBL31455342 0.79 ALDH1A1 (0.57) MAPTALDH1A1HPGDHSD17B10
SCHEMBL31455394 0.78 MAPT (0.36) GSK3BGSK3AAURKATYMSMAPT
SCHEMBL31455064 0.75 GSK3B (0.45) GSK3BGSK3AAURKATYMSMAPT
SCHEMBL31455469 0.74 MAPT (0.43) MAPTNPC1RAB9AMCHR1ALDH1A1
SCHEMBL25928005 0.74 ALDH1A1 (0.50) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL8949097 0.74 ALDH1A1 (0.50) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL25384573 0.74 ABCG2 (0.54) GSK3BGSK3AAURKAMAPTMAPK1

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