SCHEMBL7209428

SCHEMBL7209428

CC(C)(C)CNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.48
ADORA1 P30542 12/20 0.48
ADORA2B P29275 10/20 0.48
TMIGD3 P0DMS9 9/20 0.48
TLR7 Q9NYK1 5/20 0.44
ADORA3 P0DMS8 2/20 0.40

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
SCHEMBL7206459 0.87 TMIGD3 (0.54) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7211508 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210333 0.86 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7208663 0.85 TMIGD3 (0.57) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7206499 0.84 TLR7 (0.47) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7209368 0.84 TMIGD3 (0.48) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7207411 0.84 ADORA2A (0.61) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060224 0.84 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL4474934 0.83 TLR7 (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210251 0.82 TLR7 (0.58) ADORA2AADORA1ADORA2BTMIGD3TLR7

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