SCHEMBL31455452

SCHEMBL31455452

Cc1nc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.39
AURKA O14965 2/20 0.38
AURKB Q96GD4 1/20 0.38
ABCC1 P33527 3/20 0.37
HTT P42858 1/20 0.37
ABCB1 P08183 1/20 0.37
MAP2K3 P46734 1/20 0.37
GSK3B P49841 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
PRKACA P17612 1/20 0.36
CASP6 P55212 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
PIN1 Q13526 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL31455503 0.81 ABCG2 (0.38) ABCG2HTTMAP2K3GSK3BMEN1
SCHEMBL31420324 0.80 ABCG2 (0.40) ABCG2AURKAAURKBABCC1GSK3B
SCHEMBL12100934 0.78 GSK3B (0.57) ABCG2AURKAABCB1GSK3BMEN1
SCHEMBL31455712 0.77 TSHR (0.42) ABCG2HTTGSK3BMEN1KMT2A
SCHEMBL7835308 0.76 GALR2 (0.46) ABCG2HTTGSK3BMEN1KMT2A
SCHEMBL31455004 0.75 ABCG2 (0.40) ABCG2ABCC1HTTGSK3BMEN1
SCHEMBL6614664 0.74 ALDH1A1 (0.51) ABCG2MEN1KMT2APSMD14PRKACA
SCHEMBL31420362 0.74 GSK3B (0.47) ABCG2AURKAABCB1GSK3BMEN1
SCHEMBL25386272 0.73 MAPT (0.45) ABCG2AURKAABCC1GSK3BMAPT
SCHEMBL6618672 0.72 ALDH1A1 (0.55) AURKAHTTMAP2K3MEN1KMT2A

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