SCHEMBL31661975

SCHEMBL31661975

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCOC4CCNCC4)cc3)c21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.41
SCN9A Q15858 6/20 0.39
KDM1A O60341 1/20 0.38
CD38 P28907 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL31662035 0.90 SCN9A (0.39) CHEK2SCN9ACD38HRH3
SCHEMBL31662228 0.90 SCN9A (0.39) CHEK2SCN9AKDM1ACD38JAK2
SCHEMBL31662072 0.89 SCN9A (0.39) CHEK2SCN9ACD38HRH3
SCHEMBL31661893 0.86 SCN9A (0.38) SCN9ACD38HRH3
SCHEMBL31662085 0.86 SCN9A (0.38) SCN9ACD38HRH3
SCHEMBL31661933 0.85 SCN9A (0.39) CHEK2SCN9AKDM1AREN
SCHEMBL31662592 0.84 CHEK2 (0.48) CHEK2
SCHEMBL31661875 0.84 SCN9A (0.40) CHEK2SCN9AKDM1A
SCHEMBL31662144 0.82 PARP15 (0.51) CHEK2SCN9A
SCHEMBL31662377 0.82 SCN9A (0.43) CHEK2SCN9AHRH3

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