SCHEMBL31534094

SCHEMBL31534094

N#Cc1cncc(-c2nc(OCCc3c[nH]c4ccccc34)c3ncsc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.41
ADORA1 P30542 1/20 0.40
CLK4 Q9HAZ1 3/20 0.40
GSK3B P49841 2/20 0.40
NEK4 P51957 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
GBA1 P04062 1/20 0.37
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35

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
SCHEMBL27319700 1.00 AKT1 (0.41) AKT1ADORA1CLK4GSK3BNEK4
SCHEMBL27319878 0.86 GBA1 (0.49) AKT1ADORA1CLK4MEN1LMNA
SCHEMBL30867198 0.86 GBA1 (0.49) AKT1ADORA1CLK4MEN1LMNA
SCHEMBL31534056 0.86 GBA1 (0.41) AKT1CLK4GSK3BNEK4CSNK2A1
SCHEMBL27319549 0.82 GSK3B (0.39) AKT1CLK4GSK3BNEK4CSNK2A1
SCHEMBL31534096 0.82 GSK3B (0.39) AKT1CLK4GSK3BNEK4CSNK2A1
SCHEMBL27319565 0.81 CDK4 (0.43) AKT1GSK3BSSTR2SSTR4ROCK2
SCHEMBL31534073 0.81 CDK4 (0.43) AKT1GSK3BSSTR2SSTR4ROCK2
SCHEMBL31534065 0.81 GSK3B (0.40) CLK4GSK3BNEK4CSNK2A1MEN1
SCHEMBL27320797 0.81 GSK3B (0.40) CLK4GSK3BNEK4CSNK2A1MEN1

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
CN-119948035-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2025-05-06 CN disclosed