SCHEMBL31662457

SCHEMBL31662457

Cn1ncc2cc(N)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.34
MAPK14 Q16539 2/20 0.33
ADORA2A P29274 2/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 0.33
LTA4H P09960 1/20 0.32
ATM Q13315 1/20 0.31
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
TBK1 Q9UHD2 1/20 0.31
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
TNK2 Q07912 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
AKT1 P31749 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
SCHEMBL31662230 0.88 CD38 (0.34) CD38MAPK14ADORA2AHTR6LRRK2
SCHEMBL31662072 0.86 SCN9A (0.39) CD38MAPK14HRH3
SCHEMBL31662578 0.85 CD38 (0.37) CD38MAPK14SMN1; SMN2HRH3ALDH1A1
SCHEMBL31662235 0.85 CD38 (0.39) CD38MAPK14KCNH2HRH3
SCHEMBL31662231 0.84 ATM (0.38) CD38MAPK14SMN1; SMN2LTA4HATM
SCHEMBL31662620 0.83 CD38 (0.40) CD38MAPK14SMN1; SMN2LRRK2HRH3
SCHEMBL31662202 0.83 GSK3B (0.36) CD38MAPK14HTR6LRRK2LTA4H
SCHEMBL31662289 0.83 CD38 (0.32) CD38MAPK14HTR6LRRK2
SCHEMBL31661923 0.82 TTK (0.38) CD38HTR6LRRK2
SCHEMBL31662008 0.82 CD38 (0.46) CD38HRH3CYP1A2

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed