SCHEMBL29295102

SCHEMBL29295102

COCc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.43
▸ KMT2A Q03164 4/20 0.38
▸ HSD17B10 Q99714 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ KDM4C Q9H3R0 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
SCHEMBL29294826 0.89 KMT2A (0.40) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29294721 0.88 NLRP3 (0.42) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29295193 0.86 NLRP3 (0.44) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29294222 0.85 NLRP3 (0.53) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29295190 0.85 NLRP3 (0.43) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29295192 0.82 NLRP3 (0.43) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29294822 0.82 NLRP3 (0.50) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29294800 0.82 NLRP3 (0.44) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29295050 0.81 NLRP3 (0.43) NLRP3KMT2AHSD17B10MEN1TSHR
SCHEMBL29294799 0.81 NLRP3 (0.43) NLRP3KMT2AHSD17B10MEN1TSHR

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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