SCHEMBL31662099

SCHEMBL31662099

Cn1ncc2cc(C(N)=O)c(Oc3ccc(CCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
DRD4 P21917 3/20 0.35
TMEM97 Q5BJF2 2/20 0.35
AR P10275 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SCN9A Q15858 1/20 0.34
JAK2 O60674 1/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
CHRM1 P11229 1/20 0.33
LRRK2 Q5S007 1/20 0.33
DRD3 P35462 1/20 0.33
NMT1 P30419 1/20 0.33
NTRK1 P04629 1/20 0.33
KCNH2 Q12809 1/20 0.33
NTRK2 Q16620 1/20 0.33
ACACB O00763 1/20 0.33
ROCK2 O75116 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
SCHEMBL31662412 0.92 DRD4 (0.35) SIGMAR1DRD4TMEM97CHRM1LRRK2
SCHEMBL31661929 0.91 IRAK4 (0.37) JAK1JAK3ARIRAK4SCN9A
SCHEMBL31662165 0.89 IRAK4 (0.37) JAK1JAK3ARIRAK4SCN9A
SCHEMBL31662162 0.84 IRAK4 (0.37) JAK1JAK3IRAK4SCN9AJAK2
SCHEMBL31662135 0.84 IRAK4 (0.37) JAK1JAK3IRAK4SCN9AJAK2
SCHEMBL31662279 0.84 IRAK4 (0.37) JAK1JAK3IRAK4SCN9AJAK2
SCHEMBL31661957 0.83 IRAK4 (0.36) JAK1JAK3IRAK4SCN9AJAK2
SCHEMBL31661953 0.83 SCN9A (0.36) JAK1JAK3SIGMAR1DRD4TMEM97
SCHEMBL31661886 0.82 IRAK4 (0.39) JAK1JAK3ARIRAK4SCN9A
SCHEMBL31662113 0.82 SCN9A (0.39) SIGMAR1DRD4TMEM97IRAK4SCN9A

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