SCHEMBL29294639

SCHEMBL29294639

Cc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CC(F)(F)C3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.46
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HCAR1 Q9BXC0 1/20 0.36
▸ PDE2A O00408 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ DRD1 P21728 1/20 0.30
▸ HAVCR2 Q8TDQ0 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ HTR7 P34969 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
SCHEMBL29294585 0.87 NLRP3 (0.51) NLRP3MEN1MAPTALOX15ALOX12
SCHEMBL29294502 0.85 ADORA3 (0.46) NLRP3PDE2AADORA3MGLLTNKS
SCHEMBL29294638 0.84 NLRP3 (0.46) NLRP3MEN1MAPTALOX15ALOX12
SCHEMBL29294222 0.84 NLRP3 (0.53) NLRP3MEN1KMT2AHSD17B10HCAR1
SCHEMBL29294670 0.84 NLRP3 (0.39) NLRP3MAPTHCAR1ADORA3MGLL
SCHEMBL29294647 0.83 NLRP3 (0.48) NLRP3MEN1MAPTALOX15ALOX12
SCHEMBL29294641 0.82 NLRP3 (0.47) NLRP3MEN1MAPTALOX15ALOX12
SCHEMBL29294644 0.82 NLRP3 (0.47) NLRP3MEN1MAPTALOX15ALOX12
SCHEMBL29294893 0.82 NLRP3 (0.47) NLRP3MEN1MAPTALOX15ALOX12
SCHEMBL29294684 0.80 NLRP3 (0.50) NLRP3PDE2AMGLL

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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