SCHEMBL31455412

SCHEMBL31455412

COC(=O)c1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.43
GSK3A P49840 3/20 0.43
AURKA O14965 2/20 0.43
MAPK1 P28482 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
PIN1 Q13526 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCL1 Q07820 1/20 0.40
PTK2B Q14289 1/20 0.40
TYMS P04818 4/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL31454989 0.85 ABCG2 (0.54) GSK3BGSK3AAURKAMAPK1MAPT
SCHEMBL25384573 0.85 ABCG2 (0.54) GSK3BGSK3AAURKAMAPK1MAPT
SCHEMBL31455120 0.83 PDE5A (0.43) MAPK1MAPTMEN1KMT2ANPC1
SCHEMBL31420362 0.80 GSK3B (0.47) GSK3BGSK3AAURKAMAPTPIN1
SCHEMBL31455381 0.80 GSK3B (0.47) GSK3BGSK3AAURKAMAPTPIN1
SCHEMBL31455013 0.80 GSK3B (0.44) GSK3BGSK3AAURKAMAPK1MAPT
SCHEMBL31455719 0.80 ABCG2 (0.45) GSK3BGSK3AAURKAMAPK1MAPT
SCHEMBL25386272 0.79 MAPT (0.45) GSK3BGSK3AAURKAMAPK1MAPT
SCHEMBL31420343 0.79 PRMT1 (0.41) GSK3BGSK3AAURKAMAPTPIN1
SCHEMBL31455258 0.78 GSK3B (0.45) GSK3BGSK3AAURKAMAPTPIN1

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