SCHEMBL31455428

SCHEMBL31455428

CC(C)(C)OC(=O)Nc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.44
PRMT1 Q99873 1/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
PTK2B Q14289 1/20 0.42
HTT P42858 1/20 0.41
RPS6KB2 Q9UBS0 2/20 0.40
PIK3CA P42336 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL31455251 0.89 PRMT1 (0.43) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31455563 0.89 PRMT1 (0.43) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31420343 0.85 PRMT1 (0.41) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31455818 0.85 PRMT1 (0.41) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31455292 0.85 PRMT1 (0.41) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31455392 0.82 PORCN (0.41) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31455040 0.82 PRMT1 (0.40) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31455417 0.82 PRMT1 (0.39) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL31454993 0.81 PRMT1 (0.40) PRMT1MAPTMEN1CYP1A2CYP3A4
SCHEMBL27894900 0.80 MAPT (0.46) FGFR4PRMT1MAPTMEN1CYP1A2

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