SCHEMBL23950454

SCHEMBL23950454

CC(C)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2c(N(O)CO)c(C3CC3)nn12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.48
KCNH2 Q12809 1/20 0.33
CHRNA7 P36544 2/20 0.33

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
SCHEMBL23950456 0.85 NLRP3 (0.51) NLRP3KCNH2CHRNA7
SCHEMBL25243118 0.85 NLRP3 (0.51) NLRP3KCNH2CHRNA7
SCHEMBL23950189 0.85 NLRP3 (0.51) NLRP3KCNH2CHRNA7
SCHEMBL25753005 0.84 NLRP3 (0.51) NLRP3KCNH2CHRNA7
SCHEMBL25751754 0.83 NLRP3 (0.50) NLRP3KCNH2CHRNA7
SCHEMBL30149314 0.82 NLRP3 (0.49) NLRP3KCNH2CHRNA7
SCHEMBL23950971 0.79 GAA (0.33) NLRP3
SCHEMBL23950511 0.76 NLRP3 (0.62) NLRP3KCNH2
SCHEMBL23950201 0.74 NLRP3 (0.35) NLRP3
SCHEMBL23950603 0.73 NLRP3 (0.66) NLRP3KCNH2

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