SCHEMBL7206049

SCHEMBL7206049

Nc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.68
ADORA1 P30542 5/20 0.68
TMIGD3 P0DMS9 3/20 0.52
ADORA2B P29275 3/20 0.52
TLR7 Q9NYK1 8/20 0.44
PTPRF P10586 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRA P18433 1/20 0.43
PTPN11 Q06124 1/20 0.43
PNP P00491 1/20 0.43
TLR8 Q9NR97 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2913215 0.87 ADORA2A (0.67) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5732024 0.86 ADORA2A (0.65) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL21977308 0.86 ADORA2A (0.51) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL3146728 0.83 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7208425 0.82 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7204696 0.82 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL14944655 0.82 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7210266 0.82 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7211527 0.82 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205701 0.82 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed