SCHEMBL23950608

SCHEMBL23950608

COc1nn(CC(=O)N[C@@H]2C[C@]3(C)CC23)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.47
TP53 P04637 1/20 0.37
CHRNA7 P36544 1/20 0.35
PDE4B Q07343 3/20 0.35
THRB P10828 2/20 0.35
PDE3A Q14432 1/20 0.35
KMT2A Q03164 3/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
MEN1 O00255 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 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
SCHEMBL23950528 0.85 NLRP3 (0.48) NLRP3TP53CHRNA7PDE4BTHRB
SCHEMBL25285708 0.85 NLRP3 (0.48) NLRP3TP53CHRNA7PDE4BTHRB
SCHEMBL23950498 0.80 NLRP3 (0.43) NLRP3TP53CHRNA7PDE4BPDE3A
SCHEMBL23950606 0.80 NLRP3 (0.42) NLRP3TP53PDE4BPDE3AKMT2A
SCHEMBL25754628 0.72 NLRP3 (0.50) NLRP3TP53CHRNA7THRBKMT2A
SCHEMBL23950831 0.72 NLRP3 (0.50) NLRP3TP53CHRNA7THRB
SCHEMBL25282294 0.72 KMT2A (0.47) NLRP3TP53CHRNA7THRBKMT2A
SCHEMBL25751776 0.72 KMT2A (0.47) NLRP3TP53CHRNA7THRBKMT2A
SCHEMBL23950511 0.71 NLRP3 (0.62) NLRP3TP53THRB
SCHEMBL23950818 0.71 NLRP3 (0.62) NLRP3TP53THRBKMT2AMEN1

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