SCHEMBL31455258

SCHEMBL31455258

O=Cc1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.45
PIN1 Q13526 1/20 0.44
GSK3A P49840 3/20 0.42
AURKA O14965 2/20 0.42
ABCG2 Q9UNQ0 9/20 0.38
ABCB1 P08183 1/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36
HSF1 Q00613 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PKM P14618 1/20 0.35
TYMS P04818 1/20 0.35

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
SCHEMBL31455381 0.84 GSK3B (0.47) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31420362 0.84 GSK3B (0.47) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL12100934 0.81 GSK3B (0.57) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31455247 0.81 PIN1 (0.46) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31455013 0.81 GSK3B (0.44) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31455412 0.78 GSK3B (0.43) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31455113 0.75 PIN1 (0.47) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31455064 0.75 GSK3B (0.45) GSK3BPIN1GSK3AAURKAABCG2
SCHEMBL31455289 0.74 PIK3CA (0.46) GSK3BPIN1ABCG2MAPTMEN1
SCHEMBL31455363 0.74 GSK3B (0.43) GSK3BPIN1GSK3AAURKAABCG2

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