SCHEMBL31662020

SCHEMBL31662020

C[C@@H]1COCC[C@H]1OCCOc1ccc(Oc2cc3c(cnn3C)cc2C(N)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.36
SCN9A Q15858 2/20 0.35
CHRM1 P11229 1/20 0.34
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
SYK P43405 4/20 0.33
RET P07949 1/20 0.32
MTOR P42345 1/20 0.32
HAO1 Q9UJM8 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL31662019 1.00 IRAK4 (0.36) IRAK4SCN9ACHRM1JAK1JAK3
SCHEMBL31662279 0.89 IRAK4 (0.37) IRAK4SCN9ACHRM1JAK1JAK3
SCHEMBL31662162 0.89 IRAK4 (0.37) IRAK4SCN9ACHRM1JAK1JAK3
SCHEMBL31662135 0.89 IRAK4 (0.37) IRAK4SCN9ACHRM1JAK1JAK3
SCHEMBL31662165 0.87 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3SYK
SCHEMBL31661902 0.86 SCN9A (0.35) IRAK4SCN9ACHRM1SYKRET
SCHEMBL31661879 0.86 SCN9A (0.35) IRAK4SCN9ACHRM1SYKRET
SCHEMBL31662005 0.86 SCN9A (0.35) IRAK4SCN9ACHRM1SYKRET
SCHEMBL31662113 0.84 SCN9A (0.39) IRAK4SCN9ASYKHAO1HTR3A
SCHEMBL31661929 0.83 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3SYK

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