SCHEMBL29294641

SCHEMBL29294641

Cc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCNC(=O)C3)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.47
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ PRKCH P24723 1/20 0.34
▸ PRKCE Q02156 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ CRHR1 P34998 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31

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) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294638 0.84 NLRP3 (0.46) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294222 0.84 NLRP3 (0.53) NLRP3KMT2AMEN1HSD17B10HCAR1
SCHEMBL29294833 0.84 NLRP3 (0.47) NLRP3MAPTHCAR1MGLLHTR3A
SCHEMBL29294647 0.83 NLRP3 (0.48) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294644 0.83 NLRP3 (0.47) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294840 0.83 NLRP3 (0.46) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294639 0.82 NLRP3 (0.46) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294682 0.82 NLRP3 (0.47) NLRP3KMT2AMEN1MAPTALOX15
SCHEMBL29294631 0.82 NLRP3 (0.47) NLRP3MAPTMGLLRAB9ANCF1

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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