SCHEMBL24834877

SCHEMBL24834877

CC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.53
P2RX3 P56373 2/20 0.36
GPR139 Q6DWJ6 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
SCHEMBL24834529 0.94 NLRP3 (0.52) NLRP3
SCHEMBL24834599 0.87 NLRP3 (0.42) NLRP3P2RX3
SCHEMBL24835107 0.85 NLRP3 (0.67) NLRP3
SCHEMBL30168573 0.84 NLRP3 (0.60) NLRP3GPR139
SCHEMBL24077213 0.84 NLRP3 (0.60) NLRP3GPR139
SCHEMBL24077345 0.83 NLRP3 (0.52) NLRP3
SCHEMBL24076982 0.82 NLRP3 (0.55) NLRP3
SCHEMBL24077227 0.82 NLRP3 (0.55) NLRP3
SCHEMBL24834601 0.81 NLRP3 (0.41) NLRP3P2RX3
SCHEMBL29660868 0.80 NLRP3 (0.57) NLRP3

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