SCHEMBL23950840

SCHEMBL23950840

CC(C)c1nn(CC(=O)Nc2cc(Br)c(=N)n(C=N)c2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.51
KCNH2 Q12809 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
MAPT P10636 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
SCHEMBL23950800 0.82 NLRP3 (0.54) NLRP3FPR1FPR2
SCHEMBL23950465 0.79 NLRP3 (0.58) NLRP3KCNH2FPR1FPR2
SCHEMBL23950479 0.79 NLRP3 (0.58) NLRP3KCNH2
SCHEMBL23950536 0.79 NLRP3 (0.57) NLRP3KCNH2
SCHEMBL23950381 0.78 NLRP3 (0.55) NLRP3FPR1FPR2MAPT
SCHEMBL25753869 0.77 NLRP3 (0.54) NLRP3KCNH2
SCHEMBL23950803 0.77 NLRP3 (0.55) NLRP3KCNH2FPR1FPR2
SCHEMBL23950358 0.77 NLRP3 (0.57) NLRP3KCNH2
SCHEMBL23950624 0.76 NLRP3 (0.55) NLRP3
SCHEMBL23950516 0.76 NLRP3 (0.55) NLRP3FPR1FPR2

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-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed