SCHEMBL31455381

SCHEMBL31455381

O=[N+]([O-])c1ccc(-c2ccccc2)nc1Nc1ccc(F)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.47
PIN1 Q13526 1/20 0.46
ABCG2 Q9UNQ0 9/20 0.43
GSK3A P49840 3/20 0.43
AURKA O14965 2/20 0.43
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ABCB1 P08183 1/20 0.39
TYMS P04818 3/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL31420362 0.86 GSK3B (0.47) GSK3BPIN1ABCG2GSK3AAURKA
SCHEMBL31455258 0.84 GSK3B (0.45) GSK3BPIN1ABCG2GSK3AAURKA
SCHEMBL12100934 0.83 GSK3B (0.57) GSK3BPIN1ABCG2GSK3AAURKA
SCHEMBL31455013 0.83 GSK3B (0.44) GSK3BPIN1ABCG2GSK3AAURKA
SCHEMBL31455247 0.83 PIN1 (0.46) GSK3BPIN1ABCG2GSK3AAURKA
SCHEMBL31455412 0.80 GSK3B (0.43) GSK3BPIN1ABCG2GSK3AAURKA
SCHEMBL31455289 0.80 PIK3CA (0.46) GSK3BPIN1ABCG2PIK3CAPIK3CB
SCHEMBL31455004 0.78 ABCG2 (0.40) GSK3BPIN1ABCG2MAPTMEN1
SCHEMBL27226936 0.77 MAPT (0.49) GSK3BABCG2GSK3AAURKAMAPT
SCHEMBL31455064 0.77 GSK3B (0.45) GSK3BPIN1ABCG2GSK3AAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed