SCHEMBL31662016

SCHEMBL31662016

NC(=O)c1cc2cnn(C(F)F)c2cc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
IRAK4 Q9NWZ3 6/20 0.35
JAK1 P23458 4/20 0.32
JAK3 P52333 4/20 0.32
GCK P35557 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPK1 P28482 2/20 0.31
TBK1 Q9UHD2 1/20 0.31
CYP11B2 P19099 1/20 0.31
SCN9A Q15858 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
SCHEMBL31662142 0.92 IRAK4 (0.39) IRAK4GCKMAPK1TBK1
SCHEMBL31662165 0.88 IRAK4 (0.37) SYKIRAK4JAK1JAK3JAK2
SCHEMBL31662129 0.86 MAPK1 (0.38) SYKIRAK4JAK1JAK3MAPK1
SCHEMBL31661957 0.86 IRAK4 (0.36) SYKIRAK4JAK1JAK3JAK2
SCHEMBL31661929 0.84 IRAK4 (0.37) SYKIRAK4JAK1JAK3JAK2
SCHEMBL31662279 0.83 IRAK4 (0.37) SYKIRAK4JAK1JAK3JAK2
SCHEMBL31662135 0.83 IRAK4 (0.37) SYKIRAK4JAK1JAK3JAK2
SCHEMBL31662162 0.83 IRAK4 (0.37) SYKIRAK4JAK1JAK3JAK2
SCHEMBL31662113 0.81 SCN9A (0.39) SYKIRAK4SCN9A
SCHEMBL31661945 0.80 LRRK2 (0.36) MAPK1SCN9A

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