SCHEMBL31039719

SCHEMBL31039719

Cc1nc(N[C@@H]2CCCN(CCn3cccn3)C2)nnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.41
GFER P55789 1/20 0.39
KAT2B Q92831 11/20 0.37
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL31039741 1.00 NLRP3 (0.41) NLRP3GFERKAT2BALDH1A1ROCK2
SCHEMBL31341807 0.84 ROCK2 (0.45) NLRP3KAT2BROCK2ROCK1
SCHEMBL29159546 0.81 CAMK2D (0.45) NLRP3KAT2B
SCHEMBL24695702 0.81 CAMK2D (0.45) NLRP3KAT2B
SCHEMBL27292457 0.81 NLRP3 (0.55) NLRP3KAT2BROCK2ROCK1
SCHEMBL31039762 0.79 NLRP3 (0.56) NLRP3KAT2BROCK2ROCK1
SCHEMBL31039735 0.79 KAT2B (0.53) NLRP3KAT2BROCK2ROCK1
SCHEMBL31039722 0.77 NLRP3 (0.61) NLRP3KAT2BROCK2ROCK1
SCHEMBL31039746 0.76 NLRP3 (0.43) NLRP3KAT2BROCK2
SCHEMBL31039693 0.76 NLRP3 (0.78) NLRP3GFERALDH1A1

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
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