SCHEMBL6153574

SCHEMBL6153574

CCCCCc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.63
ADORA2A P29274 6/20 0.56
ADORA1 P30542 6/20 0.56
ADORA2B P29275 4/20 0.53
TMIGD3 P0DMS9 3/20 0.53
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL1001748 0.87 TLR7 (0.64) TLR7ADORA2AADORA1ADORA2BADORA3
SCHEMBL5732120 0.86 TLR7 (0.63) TLR7ADORA2AADORA1ADORA2BADORA3
SCHEMBL7210343 0.82 TLR7 (0.70) TLR7
SCHEMBL7209457 0.81 ADORA2A (0.72) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL7206709 0.81 ADORA2A (0.53) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL7204011 0.81 TLR7 (0.74) TLR7
SCHEMBL5731164 0.80 TLR7 (0.55) TLR7ADORA2AADORA1ADORA2B
SCHEMBL7205585 0.80 ADORA2A (0.54) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL7209091 0.80 ADORA2A (0.74) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL1146042 0.79 TLR7 (0.43) TLR7ADORA2AADORA1ADORA2BTMIGD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882727-B9 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2005-06-15 EP disclosed
EP-0882727-B1 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-12-01 EP disclosed
US-6028076-A FOR INDUCING .ALPHA.-INTERFERON IN A PATIENT HAVING HEPATITIS B OR C, BY ADMINISTERING PURINE DERIVATIVE JAPAN ENERGY CORPORATION (JP) 2000-02-22 US disclosed
EP-0882727-A1 NOVEL PURINE DERIVATIVES JAPAN ENERGY CORPORATION (JP) 1998-12-09 EP disclosed