SCHEMBL31455392

SCHEMBL31455392

Cn1nccc1-c1ccc([N+](=O)[O-])c(Nc2ccc(NC(=O)OC(C)(C)C)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 3/20 0.41
CYP2D6 P10635 3/20 0.40
PRMT1 Q99873 1/20 0.39
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
PTK2B Q14289 1/20 0.37
NAMPT P43490 1/20 0.36
BRD4 O60885 2/20 0.35
LMNA P02545 1/20 0.35
HSF1 Q00613 1/20 0.34
BCL2 P10415 3/20 0.33
BECN1 Q14457 2/20 0.33

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
SCHEMBL31420343 0.84 PRMT1 (0.41) PRMT1GSK3BCYP1A2CYP2C19CYP2C9
SCHEMBL31455818 0.83 PRMT1 (0.41) PRMT1GSK3BDYRK1ACYP1A2CYP2C19
SCHEMBL31455292 0.83 PRMT1 (0.41) PRMT1GSK3BDYRK1ACYP1A2CYP2C19
SCHEMBL31455428 0.82 FGFR4 (0.44) PRMT1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL31455339 0.82 ABL1 (0.45) PORCNCYP2D6GSK3BDYRK1AMAPT
SCHEMBL31455563 0.82 PRMT1 (0.43) PRMT1GSK3BCYP1A2CYP2C19CYP2C9
SCHEMBL31455251 0.82 PRMT1 (0.43) PRMT1GSK3BCYP1A2CYP2C19CYP2C9
SCHEMBL31455040 0.80 PRMT1 (0.40) PRMT1GSK3BDYRK1ACYP1A2CYP2C19
SCHEMBL31455417 0.80 PRMT1 (0.39) CYP2D6PRMT1GSK3BDYRK1ACYP1A2
SCHEMBL31455246 0.79 BRD4 (0.37) PORCNCYP2D6GSK3BCYP1A2CYP2C19

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