SCHEMBL31661988

SCHEMBL31661988

Cn1ncc2cc(-c3cccnn3)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.36
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CD38 P28907 1/20 0.32
HTR6 P50406 1/20 0.31
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TNK2 Q07912 1/20 0.31
SCN9A Q15858 2/20 0.31
MAPK14 Q16539 1/20 0.31
SYK P43405 1/20 0.30
BACE1 P56817 1/20 0.30
ADORA2A P29274 1/20 0.30
LTA4H P09960 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL31661923 0.84 TTK (0.38) LRRK2GSK3BDYRK1ACD38HTR6
SCHEMBL31661954 0.82 TTK (0.32) LRRK2CD38HTR6CSF1RPDGFRB
SCHEMBL31661962 0.82 TTK (0.35) LRRK2CD38HTR6CSF1RPDGFRB
SCHEMBL31662202 0.81 GSK3B (0.36) LRRK2GSK3BDYRK1ACD38HTR6
SCHEMBL31662230 0.81 CD38 (0.34) LRRK2CD38HTR6MAPK14ADORA2A
SCHEMBL31662457 0.81 CD38 (0.34) LRRK2CD38HTR6TNK2MAPK14
SCHEMBL31662578 0.78 CD38 (0.37) CD38SCN9AMAPK14
SCHEMBL31662072 0.78 SCN9A (0.39) CD38SCN9AMAPK14
SCHEMBL31662231 0.78 ATM (0.38) CD38MAPK14LTA4H
SCHEMBL31662620 0.77 CD38 (0.40) LRRK2GSK3BDYRK1ACD38MAPK14

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