SCHEMBL31039739

SCHEMBL31039739

Cc1nc(N[C@@H]2CCCN(CCCc3ncco3)C2)nnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.56
KAT2B Q92831 4/20 0.38
HTR1A P08908 6/20 0.37
LTA4H P09960 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNK O75909 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 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
SCHEMBL31039722 0.95 NLRP3 (0.61) NLRP3KAT2BHTR1ALTA4HJAK2
SCHEMBL31039762 0.80 NLRP3 (0.56) NLRP3KAT2BCCNT1CCNKCCNE1
SCHEMBL31341807 0.79 ROCK2 (0.45) NLRP3KAT2B
SCHEMBL27292457 0.78 NLRP3 (0.55) NLRP3KAT2BCCNT1CCNKCCNE1
SCHEMBL31039679 0.78 NLRP3 (0.93) NLRP3LTA4HJAK2JAK1JAK3
SCHEMBL27292614 0.78 NLRP3 (0.93) NLRP3LTA4HJAK2JAK1JAK3
SCHEMBL31039746 0.77 NLRP3 (0.43) NLRP3KAT2BHTR1A
SCHEMBL24695702 0.76 CAMK2D (0.45) NLRP3KAT2B
SCHEMBL29159546 0.76 CAMK2D (0.45) NLRP3KAT2B
SCHEMBL31039735 0.76 KAT2B (0.53) NLRP3KAT2BCCNT1CCNKCCNE1

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