SCHEMBL29295193

SCHEMBL29295193

COc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.44
▸ TNKS O95271 5/20 0.38
▸ TNKS2 Q9H2K2 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29295190 0.91 NLRP3 (0.43) NLRP3KMT2AMEN1GAATSHR
SCHEMBL29295192 0.90 NLRP3 (0.43) NLRP3KMT2AMEN1TSHRHSD17B10
SCHEMBL29294954 0.88 NLRP3 (0.41) NLRP3KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL29294222 0.87 NLRP3 (0.53) NLRP3KMT2AMEN1GAATSHR
SCHEMBL29295194 0.87 NLRP3 (0.40) NLRP3KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL29295102 0.86 NLRP3 (0.43) NLRP3TNKSTNKS2KMT2AMEN1
SCHEMBL29294822 0.84 NLRP3 (0.50) NLRP3KMT2AMEN1GAATSHR
SCHEMBL29294800 0.84 NLRP3 (0.44) NLRP3KMT2ABACE1MEN1TSHR
SCHEMBL29295050 0.84 NLRP3 (0.43) NLRP3KMT2ABACE1MEN1TSHR
SCHEMBL29294799 0.83 NLRP3 (0.43) NLRP3KMT2ABACE1MEN1TSHR

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
EP-4397663-A1 6-AMINOPYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2024-07-10 — — EP disclosed
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