SCHEMBL24834573

SCHEMBL24834573

CN(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.52
AKR1B1 P15121 3/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL24834575 0.94 NLRP3 (0.51) NLRP3AKR1B1KMT2A
SCHEMBL24835107 0.87 NLRP3 (0.67) NLRP3AKR1B1
SCHEMBL24834599 0.85 NLRP3 (0.42) NLRP3AKR1B1KMT2A
SCHEMBL29348102 0.85 NLRP3 (0.49) NLRP3AKR1B1
SCHEMBL24834570 0.81 NLRP3 (0.66) NLRP3AKR1B1KMT2A
SCHEMBL29348125 0.79 NLRP3 (0.53) NLRP3AKR1B1KMT2A
SCHEMBL29348120 0.79 NLRP3 (0.53) NLRP3AKR1B1KMT2A
SCHEMBL29348115 0.79 NLRP3 (0.51) NLRP3KMT2A
SCHEMBL24834601 0.79 NLRP3 (0.41) NLRP3AKR1B1KMT2A
SCHEMBL29348117 0.78 NLRP3 (0.46) NLRP3AKR1B1

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-2023275230-A1 5-OXO-PYRIDO[2,3-D]PYRIDAZIN-6(5H)-YL ACETAMIDES JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 WO disclosed