SCHEMBL7204596

SCHEMBL7204596

Nc1nc(NCCc2ccccc2)nc2c1nc(Br)n2Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.78
ADORA2A P29274 16/20 0.78
ADORA2B P29275 12/20 0.78
TMIGD3 P0DMS9 9/20 0.78
ADORA3 P0DMS8 4/20 0.53
APP P05067 1/20 0.51
TLR7 Q9NYK1 1/20 0.48

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
SCHEMBL5160535 0.91 ADORA2A (0.85) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160867 0.89 ADORA2A (0.83) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL2060202 0.89 ADORA2A (0.63) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL7210294 0.89 ADORA2A (0.72) ADORA1ADORA2AADORA2BTMIGD3TLR7
SCHEMBL7208425 0.89 ADORA2A (0.76) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL7209091 0.87 ADORA2A (0.74) ADORA1ADORA2AADORA2BTMIGD3TLR7
SCHEMBL5160172 0.87 ADORA2A (1.00) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL7205425 0.87 ADORA2A (0.69) ADORA1ADORA2AADORA2BTMIGD3TLR7
SCHEMBL5163760 0.86 ADORA2A (0.72) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL7209452 0.86 ADORA2A (0.62) ADORA1ADORA2AADORA2BTMIGD3TLR7

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