SCHEMBL29295169

SCHEMBL29295169

CCc1cc(C)c(-n2cc3c(=O)[nH]c(N4CCOCC4)nc3n2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.54
▸ KMT2A Q03164 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ 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
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ IRAK4 Q9NWZ3 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
SCHEMBL29294699 0.89 NLRP3 (0.57) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29294873 0.88 NLRP3 (0.56) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29294062 0.88 NLRP3 (0.69) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295070 0.86 NLRP3 (0.54) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295245 0.86 NLRP3 (0.54) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295033 0.86 NLRP3 (0.54) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295247 0.86 NLRP3 (0.54) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29294708 0.86 NLRP3 (0.54) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295189 0.86 NLRP3 (0.56) NLRP3KMT2ATSHRMEN1HSD17B10
SCHEMBL29295027 0.85 NLRP3 (0.52) NLRP3KMT2ATSHRMEN1HSD17B10

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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