SCHEMBL7210251

SCHEMBL7210251

CCCCCNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.58
TMIGD3 P0DMS9 9/20 0.58
ADORA2A P29274 9/20 0.58
ADORA1 P30542 9/20 0.58
ADORA2B P29275 8/20 0.58

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
SCHEMBL4474934 0.97 TLR7 (0.62) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL7208663 0.92 TMIGD3 (0.57) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL31594802 0.90 TLR7 (0.49) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL15726062 0.88 TLR7 (0.53) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL7206459 0.88 TMIGD3 (0.54) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL7209457 0.87 ADORA2A (0.72) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL4473247 0.87 TLR7 (0.54) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL31594809 0.87 TLR7 (0.53) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL30731500 0.87 TLR7 (0.47) TLR7TMIGD3ADORA2AADORA1ADORA2B
SCHEMBL7207411 0.86 ADORA2A (0.61) TLR7TMIGD3ADORA2AADORA1ADORA2B

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