SCHEMBL31455113

SCHEMBL31455113

O=[N+]([O-])c1ccc(-c2ccccc2)nc1Nc1ccc(CCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
GSK3B P49841 3/20 0.45
ABCG2 Q9UNQ0 9/20 0.42
AURKA O14965 2/20 0.41
GSK3A P49840 2/20 0.41
ADORA2A P29274 1/20 0.40
ABCB1 P08183 1/20 0.39
TYMS P04818 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP7 P55210 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL31455064 0.88 GSK3B (0.45) PIN1GSK3BABCG2AURKAGSK3A
SCHEMBL12100934 0.87 GSK3B (0.57) PIN1GSK3BABCG2AURKAGSK3A
SCHEMBL31455247 0.84 PIN1 (0.46) PIN1GSK3BABCG2AURKAGSK3A
SCHEMBL25385291 0.79 ABCG2 (0.41) PIN1GSK3BABCG2AURKAGSK3A
SCHEMBL30574901 0.79 ABCG2 (0.41) PIN1GSK3BABCG2AURKAGSK3A
SCHEMBL31455363 0.79 GSK3B (0.43) PIN1GSK3BABCG2AURKAGSK3A
SCHEMBL31454989 0.78 ABCG2 (0.54) GSK3BABCG2AURKAGSK3AALDH1A1
SCHEMBL25384573 0.78 ABCG2 (0.54) GSK3BABCG2AURKAGSK3AALDH1A1
SCHEMBL17109515 0.77 BRD4 (0.49) GSK3BABCG2AURKAGSK3AMAPK1
SCHEMBL31420320 0.77 BRD4 (0.49) GSK3BABCG2AURKAGSK3AMAPK1

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