SCHEMBL31420344

SCHEMBL31420344

CN(Cc1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cc1)C1CCC(C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
RORC P51449 1/20 0.35
GSK3B P49841 4/20 0.34
GSK3A P49840 3/20 0.34
PIN1 Q13526 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
AURKA O14965 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL31420369 0.85 NAAA (0.40) NAAARORCABCG2MEN1KMT2A
SCHEMBL31455425 0.85 GSK3B (0.36) GSK3BGSK3AAURKANPC1MAPT
SCHEMBL31455064 0.74 GSK3B (0.45) GSK3BGSK3APIN1ABCG2AURKA
SCHEMBL31455113 0.74 PIN1 (0.47) GSK3BGSK3APIN1ABCG2AURKA
SCHEMBL12100934 0.73 GSK3B (0.57) GSK3BGSK3APIN1ABCG2AURKA
SCHEMBL31420398 0.72 PYCR1 (0.47) NAAANOS3NOS1NOS2HRH4
SCHEMBL150082 0.71 NAAA (0.50) NAAARORCNOS3NOS1NOS2
SCHEMBL31455172 0.70 LTA4H (0.36) GSK3BGSK3AABCG2MAPTALDH1A1
SCHEMBL30802383 0.68 SIGMAR1 (0.52) MEN1KMT2AMCHR1
SCHEMBL27227252 0.68 SIGMAR1 (0.52) MEN1KMT2AMCHR1

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-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed