SCHEMBL31491362

SCHEMBL31491362

O=c1ccc2ccc(Nc3nc(N4CC(Oc5ccc(Cl)cc5)C4)nc4c3S(=O)(=O)CCC4)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.39
▸ PDE4B Q07343 9/20 0.37
▸ PDE4D Q08499 9/20 0.37
▸ TACR2 P21452 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL31491342 0.90 PDE4B (0.35) SCN9APDE4BPDE4DTACR2
SCHEMBL31491304 0.83 PDE4B (0.39) SCN9APDE4BPDE4DTACR2
SCHEMBL31491389 0.81 SCN9A (0.38) SCN9APDE4BPDE4D
SCHEMBL31491344 0.77 PDE4B (0.35) PDE4BPDE4DTACR2
SCHEMBL31491294 0.75 PDE4B (0.34) SCN9APDE4BPDE4D
SCHEMBL31491276 0.74 BTK (0.36) SCN9APDE4BPDE4D
SCHEMBL31491360 0.72 PDE4B (0.32) SCN9APDE4BPDE4DTACR2
SCHEMBL31491301 0.69 SCN9A (0.34) SCN9ATACR2
SCHEMBL31491365 0.69 PDE4B (0.57) PDE4BPDE4D
SCHEMBL31491324 0.66 PDE4B (0.43) PDE4BPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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