SCHEMBL31039693

SCHEMBL31039693

Cc1nc(N[C@@H]2CCCN(CCn3cccn3)C2)nnc1-c1ccc2c(c1O)CCO2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.78
GFER P55789 2/20 0.34
PIK3CD O00329 2/20 0.33
PIK3R2 O00459 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3R5 Q8WYR1 2/20 0.33
PIK3R3 Q92569 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK10 P53779 2/20 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
SCHEMBL31039686 0.88 NLRP3 (1.00) NLRP3
SCHEMBL27292424 0.88 NLRP3 (1.00) NLRP3
SCHEMBL27204026 0.88 NLRP3 (0.84) NLRP3
SCHEMBL30055311 0.88 NLRP3 (0.84) NLRP3
SCHEMBL27292480 0.86 NLRP3 (1.00) NLRP3
SCHEMBL31039682 0.86 NLRP3 (1.00) NLRP3
SCHEMBL31039678 0.86 NLRP3 (0.84) NLRP3
SCHEMBL31039766 0.85 NLRP3 (0.82) NLRP3MAPK10
SCHEMBL31039756 0.85 NLRP3 (0.82) NLRP3MAPK10
SCHEMBL31039692 0.84 NLRP3 (1.00) NLRP3MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP claimed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO claimed
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed