SCHEMBL7205701

SCHEMBL7205701

COc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.61
ADORA1 P30542 3/20 0.61
TLR7 Q9NYK1 16/20 0.56
TMIGD3 P0DMS9 2/20 0.50
ADORA2B P29275 2/20 0.50

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
SCHEMBL7210349 0.88 ADORA2A (0.62) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL509587 0.87 TLR7 (0.74) ADORA2AADORA1TLR7
SCHEMBL7204717 0.86 TLR7 (0.57) TLR7
SCHEMBL7206361 0.85 TLR7 (0.66) ADORA2AADORA1TLR7
SCHEMBL7210501 0.85 TLR7 (0.56) TLR7
SCHEMBL7204011 0.84 TLR7 (0.74) TLR7
SCHEMBL7210343 0.83 TLR7 (0.70) TLR7
SCHEMBL2060194 0.83 TLR7 (0.55) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL7205832 0.83 TLR7 (0.60) ADORA2AADORA1TLR7
SCHEMBL5732024 0.83 ADORA2A (0.65) ADORA2AADORA1TLR7TMIGD3ADORA2B

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