SCHEMBL31455394

SCHEMBL31455394

COC(=O)C1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
JAK2 O60674 1/20 0.35
SYK P43405 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GALR3 O60755 1/20 0.34
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
AURKA O14965 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TYMS P04818 1/20 0.34
ADORA2A P29274 1/20 0.34
DHFR P00374 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL31455312 0.81 LTA4H (0.45) JAK2SYK
SCHEMBL31455342 0.80 ALDH1A1 (0.57) MAPTALDH1A1HPGDHSD17B10TDP1
SCHEMBL31455642 0.78 ALDH1A1 (0.50) MAPTALDH1A1HPGDTDP1
SCHEMBL31455198 0.78 SIGMAR1 (0.41) JAK2SYK
SCHEMBL31455328 0.78 DRD4 (0.44) JAK2SYK
SCHEMBL31455425 0.78 GSK3B (0.36) MAPTALDH1A1HPGDNPSR1HSD17B10
SCHEMBL27227252 0.77 SIGMAR1 (0.52)
SCHEMBL30802383 0.77 SIGMAR1 (0.52)
SCHEMBL31455407 0.74 GSK3B (0.35) MAPTJAK2ALDH1A1GSK3AGSK3B
SCHEMBL30802389 0.73 SIGMAR1 (0.46)

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