SCHEMBL31455289

SCHEMBL31455289

Nc1ccc(Nc2nc(-c3ccc(F)cc3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3B P49841 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PIN1 Q13526 1/20 0.38
FGFR4 P22455 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
MCL1 Q07820 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 0.89 GSK3B (0.47) MEN1KMT2AGSK3BABCG2PIN1
SCHEMBL31455381 0.80 GSK3B (0.47) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL31455246 0.78 BRD4 (0.37) PIK3CAMEN1KMT2AGSK3BPIN1
SCHEMBL31455066 0.78 FLT3 (0.41) PIK3CAMEN1KMT2AGSK3BPIN1
SCHEMBL31455438 0.77 FLT3 (0.44) RAB9AMEN1KMT2AGSK3BPIN1
SCHEMBL27226100 0.76 KMT2A (0.50) PIK3CAPIK3CBPIK3CGHTTRAB9A
SCHEMBL31455292 0.76 PRMT1 (0.41) PIK3CAPIK3CBPIK3CGALDH1A1RAB9A
SCHEMBL18376192 0.74 TDP1 (0.43) PIK3CAPIK3CBPIK3CGALDH1A1RAB9A
SCHEMBL31455258 0.74 GSK3B (0.45) MEN1KMT2AGSK3BABCG2PIN1
SCHEMBL31455353 0.73 MAPT (0.38) PIK3CAALDH1A1HTTRAB9AMEN1

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