SCHEMBL29295141

SCHEMBL29295141

Cc1cc(Br)cc(C)c1-n1cc2c(=O)[nH]c(N3CCCC3C)nc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.60
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AR P10275 1/20 0.31
▸ EED O75530 1/20 0.30
▸ RBBP4 Q09028 1/20 0.30
▸ SUZ12 Q15022 1/20 0.30
▸ EZH2 Q15910 1/20 0.30
▸ AEBP2 Q6ZN18 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL29295144 1.00 NLRP3 (0.60) NLRP3BCHEACHEMEN1POLB
SCHEMBL29295142 1.00 NLRP3 (0.60) NLRP3BCHEACHEMEN1POLB
SCHEMBL29294968 0.85 NLRP3 (0.62) NLRP3
SCHEMBL29294998 0.85 NLRP3 (0.62) NLRP3
SCHEMBL29294969 0.85 NLRP3 (0.62) NLRP3
SCHEMBL29295041 0.83 NLRP3 (0.59) NLRP3
SCHEMBL29295132 0.83 NLRP3 (0.67) NLRP3MEN1KMT2A
SCHEMBL29294979 0.81 NLRP3 (0.59) NLRP3
SCHEMBL29294942 0.81 NLRP3 (0.61) NLRP3
SCHEMBL29294522 0.81 ADORA3 (0.46) NLRP3BCHEACHEMEN1POLB

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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