SCHEMBL31661886

SCHEMBL31661886

CC(COc1ccc(Oc2cc3c(cnn3C)cc2C(N)=O)cc1)COC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.39
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
ACACB O00763 5/20 0.34
LRRK2 Q5S007 1/20 0.34
SCN9A Q15858 1/20 0.34
JAK2 O60674 1/20 0.33
SYK P43405 2/20 0.33
ROCK2 O75116 1/20 0.33
MAPK1 P28482 1/20 0.33
RET P07949 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL31662165 0.90 IRAK4 (0.37) IRAK4JAK1JAK3LRRK2SCN9A
SCHEMBL31661929 0.87 IRAK4 (0.37) IRAK4JAK1JAK3LRRK2SCN9A
SCHEMBL31662279 0.85 IRAK4 (0.37) IRAK4JAK1JAK3LRRK2SCN9A
SCHEMBL31662162 0.85 IRAK4 (0.37) IRAK4JAK1JAK3LRRK2SCN9A
SCHEMBL31662135 0.85 IRAK4 (0.37) IRAK4JAK1JAK3LRRK2SCN9A
SCHEMBL31661957 0.84 IRAK4 (0.36) IRAK4JAK1JAK3LRRK2SCN9A
SCHEMBL31662142 0.83 IRAK4 (0.39) IRAK4MAPK1
SCHEMBL31662113 0.83 SCN9A (0.39) IRAK4SCN9ASYKROCK2
SCHEMBL31662428 0.82 DHODH (0.37) LRRK2MAPK1
SCHEMBL31661945 0.82 LRRK2 (0.36) LRRK2SCN9AMAPK1

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