SCHEMBL25860407

SCHEMBL25860407

C#Cc1ccc(-c2nnc(NC)nc2OC)c(OCOCC)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.31

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
SCHEMBL25857449 0.88 CACNA2D1 (0.32) CACNA2D1
SCHEMBL25860224 0.85 CACNA2D1 (0.30) CACNA2D1
SCHEMBL25858061 0.84 AXL (0.31) CACNA2D1
SCHEMBL25296696 0.83 L3MBTL1 (0.34) CACNA2D1
SCHEMBL25860372 0.81 CACNA2D1 (0.31) CACNA2D1
SCHEMBL25860307 0.81 EGFR (0.31)
SCHEMBL31197252 0.80 EHMT2 (0.40)
SCHEMBL30517794 0.80 CACNA2D1 (0.30) CACNA2D1
SCHEMBL25859698 0.78 NLRP3 (0.32) CACNA2D1
SCHEMBL30517816 0.77 CCNK (0.36)

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed