SCHEMBL31455004

SCHEMBL31455004

Cc1nc(F)ccc1Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.40
MYC P01106 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GSK3B P49841 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
PIN1 Q13526 1/20 0.35
IDO1 P14902 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ABCC1 P33527 1/20 0.34

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
SCHEMBL31420324 0.86 ABCG2 (0.40) ABCG2MYCL3MBTL1SMN1; SMN2GSK3B
SCHEMBL31455503 0.82 ABCG2 (0.38) ABCG2MYCL3MBTL1SMN1; SMN2GSK3B
SCHEMBL31455712 0.78 TSHR (0.42) ABCG2MYCL3MBTL1SMN1; SMN2GSK3B
SCHEMBL31455381 0.78 GSK3B (0.47) ABCG2GSK3BKMT2AMEN1PIN1
SCHEMBL28489047 0.77 MAPK1 (0.50) ABCG2L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL12100934 0.77 GSK3B (0.57) ABCG2MYCL3MBTL1SMN1; SMN2GSK3B
SCHEMBL7835308 0.76 GALR2 (0.46) ABCG2L3MBTL1GSK3BKMT2AMEN1
SCHEMBL31455452 0.75 ABCG2 (0.39) ABCG2SMN1; SMN2GSK3BKMT2AMEN1
SCHEMBL31455294 0.75 BRD9 (0.41) ABCG2L3MBTL1KMT2AMEN1MAPT
SCHEMBL6614664 0.74 ALDH1A1 (0.51) ABCG2SMN1; SMN2KMT2AMEN1MAPT

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed