SCHEMBL29295192

SCHEMBL29295192

CC(C)Oc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.43
▸ MGLL Q99685 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ATR Q13535 7/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ATRIP Q8WXE1 3/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL29295193 0.90 NLRP3 (0.44) NLRP3HPGDMAPK1NPSR1KMT2A
SCHEMBL29295190 0.88 NLRP3 (0.43) NLRP3MGLLHPGDNPSR1KMT2A
SCHEMBL29294954 0.86 NLRP3 (0.41) NLRP3MGLLKMT2AAPAF1CDC25B
SCHEMBL29294222 0.85 NLRP3 (0.53) NLRP3MGLLHPGDMAPK1NPSR1
SCHEMBL29294799 0.85 NLRP3 (0.43) NLRP3MGLLHPGDMAPK1NPSR1
SCHEMBL29295194 0.84 NLRP3 (0.40) NLRP3KMT2AAPAF1CDC25BCASP3
SCHEMBL29294800 0.84 NLRP3 (0.44) NLRP3MGLLKMT2ATSHRHSD17B10
SCHEMBL29295050 0.83 NLRP3 (0.43) NLRP3MGLLHPGDMAPK1NPSR1
SCHEMBL29295102 0.82 NLRP3 (0.43) NLRP3HPGDKMT2ATSHRHSD17B10
SCHEMBL29294822 0.82 NLRP3 (0.50) NLRP3MGLLKMT2AAPAF1CDC25B

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
Send feedback