SCHEMBL7204617

SCHEMBL7204617

CCOCCOc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.60
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL7205488 0.95 TLR7 (0.61) TLR7ADORA2AADORA1
SCHEMBL7206361 0.90 TLR7 (0.66) TLR7ADORA2AADORA1
SCHEMBL7210349 0.90 ADORA2A (0.62) TLR7ADORA2AADORA1
SCHEMBL509587 0.89 TLR7 (0.74) TLR7ADORA2AADORA1
SCHEMBL7204011 0.89 TLR7 (0.74) TLR7
SCHEMBL7210343 0.88 TLR7 (0.70) TLR7
SCHEMBL7205555 0.87 TLR7 (0.60) TLR7
SCHEMBL7205436 0.86 TLR7 (0.61) TLR7
SCHEMBL7205832 0.85 TLR7 (0.60) TLR7ADORA2AADORA1
SCHEMBL7206493 0.84 TLR7 (0.62) TLR7ADORA2AADORA1

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