SCHEMBL31662045

SCHEMBL31662045

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(N4CC(OCCOCc5ccccc5)C4)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.39
FLT3 P36888 7/20 0.38
LIPG Q9Y5X9 1/20 0.36
EGFR P00533 1/20 0.35
ICAM1 P05362 2/20 0.34
SELE P16581 2/20 0.34
SCN9A Q15858 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL31662607 0.94 KIT (0.39) KITFLT3LIPGEGFRFFAR4
SCHEMBL31662553 0.91 KIT (0.40) KITFLT3LIPGEGFR
SCHEMBL31661867 0.87 SCN9A (0.37) SCN9A
SCHEMBL31662072 0.76 SCN9A (0.39) SCN9A
SCHEMBL31662580 0.75 PARP10 (0.46) SCN9A
SCHEMBL31662035 0.75 SCN9A (0.39) SCN9A
SCHEMBL31661975 0.74 CHEK2 (0.41) SCN9A
SCHEMBL31662417 0.73 SCN9A (0.41) SCN9AFFAR4
SCHEMBL31662144 0.72 PARP15 (0.51) SCN9A
SCHEMBL31662377 0.72 SCN9A (0.43) SCN9A

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