SCHEMBL29464485

SCHEMBL29464485

Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(N3CC4CCC3CN4)n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.39
SCN1A P35498 6/20 0.33
SCN8A Q9UQD0 6/20 0.33
GRM2 Q14416 1/20 0.33
SCN5A Q14524 1/20 0.32
GHSR Q92847 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
SCHEMBL23651319 1.00 IRAK4 (0.39) IRAK4SCN1ASCN8AGRM2SCN5A
SCHEMBL19951379 1.00 IRAK4 (0.39) IRAK4SCN1ASCN8AGRM2SCN5A
SCHEMBL19951378 1.00 IRAK4 (0.39) IRAK4SCN1ASCN8AGRM2SCN5A
SCHEMBL29464496 1.00 IRAK4 (0.39) IRAK4SCN1ASCN8AGRM2SCN5A
SCHEMBL19927708 1.00 IRAK4 (0.39) IRAK4SCN1ASCN8AGRM2SCN5A
Hydrochloric Acid SCHEMBL19927738 0.99 IRAK4 (0.38) IRAK4SCN1ASCN8AGRM2SCN5A
Hydrochloric Acid SCHEMBL29464904 0.99 IRAK4 (0.38) IRAK4SCN1ASCN8AGRM2SCN5A
Hydrochloric Acid SCHEMBL19951321 0.99 IRAK4 (0.38) IRAK4SCN1ASCN8AGRM2SCN5A
SCHEMBL19925114 0.84 SCN1A (0.35) IRAK4SCN1ASCN8ASCN5AGHSR
SCHEMBL29464445 0.84 SCN1A (0.35) IRAK4SCN1ASCN8ASCN5AGHSR

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
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN claimed
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed