SCHEMBL29295189

SCHEMBL29295189

Cc1cc(C(C)C)cc(C)c1-n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.56
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ APAF1 O14727 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34

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
SCHEMBL29295247 0.92 NLRP3 (0.54) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29294062 0.90 NLRP3 (0.69) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29294699 0.89 NLRP3 (0.57) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29295172 0.89 NLRP3 (0.50) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29294873 0.88 NLRP3 (0.56) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29294708 0.86 NLRP3 (0.54) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29295033 0.86 NLRP3 (0.54) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295070 0.86 NLRP3 (0.54) NLRP3HPGDKMT2ATSHRMEN1
SCHEMBL29295169 0.86 NLRP3 (0.54) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29295027 0.85 NLRP3 (0.52) NLRP3HPGDMAPK1NPSR1KMT2A

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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