SCHEMBL31455653

SCHEMBL31455653

CC(C)(C)OC(=O)NCc1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.39
BRD4 O60885 3/20 0.36
ACACB O00763 3/20 0.36
ACACA Q13085 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
KDM4A O75164 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 2/20 0.35
AURKB Q96GD4 1/20 0.35
ITK Q08881 2/20 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
SCHEMBL31455688 0.86 ABCG2 (0.39) ABCG2BRD4ACACBACACAKDM4A
SCHEMBL17109515 0.86 BRD4 (0.49) ABCG2BRD4ACACBMAPK1SMN1; SMN2
SCHEMBL31420320 0.86 BRD4 (0.49) ABCG2BRD4ACACBMAPK1SMN1; SMN2
SCHEMBL31455545 0.85 ABCG2 (0.41) ABCG2BRD4HTTSMN1; SMN2ABCB1
SCHEMBL31455591 0.83 GSK3B (0.39) ABCG2BRD4ACACBACACAMAPK1
SCHEMBL31455106 0.82 SYK (0.40) ABCG2HTTSMN1; SMN2MAPT
SCHEMBL31455002 0.81 PRMT1 (0.49) ABCG2BRD4HTTMAPK1SMN1; SMN2
SCHEMBL31455077 0.78 ABCG2 (0.41) ABCG2BRD4MAPK1ABCB1MAPT
SCHEMBL31455738 0.78 HDAC1 (0.40) BRD4ACACBACACAMAPT
SCHEMBL31455719 0.77 ABCG2 (0.45) ABCG2BRD4HTTMAPK1SMN1; SMN2

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