SCHEMBL31455591

SCHEMBL31455591

CC(C)(C)OC(=O)NCc1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
AURKA O14965 2/20 0.39
GSK3A P49840 2/20 0.39
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
BRD4 O60885 1/20 0.37
ACACB O00763 3/20 0.36
ACACA Q13085 2/20 0.36
PRMT1 Q99873 1/20 0.36
PIN1 Q13526 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 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
SCHEMBL31420320 0.87 BRD4 (0.49) GSK3BAURKAGSK3ABRD4ACACB
SCHEMBL17109515 0.87 BRD4 (0.49) GSK3BAURKAGSK3ABRD4ACACB
SCHEMBL31420343 0.85 PRMT1 (0.41) GSK3BAURKAGSK3ABRD4PRMT1
SCHEMBL31455738 0.83 HDAC1 (0.40) CKS1BSKP1SKP2BRD4ACACB
SCHEMBL31455653 0.83 ABCG2 (0.39) BRD4ACACBACACAABCG2MAPT
SCHEMBL31455002 0.82 PRMT1 (0.49) GSK3BAURKAGSK3ABRD4PRMT1
SCHEMBL31455013 0.81 GSK3B (0.44) GSK3BAURKAGSK3APIN1ABCG2
SCHEMBL31455077 0.80 ABCG2 (0.41) GSK3BAURKAGSK3ABRD4PRMT1
SCHEMBL31455247 0.79 PIN1 (0.46) GSK3BAURKAGSK3APIN1ABCG2
SCHEMBL25385291 0.78 ABCG2 (0.41) GSK3BAURKAGSK3APIN1ABCG2

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