SCHEMBL5731379

SCHEMBL5731379

Nc1nc(CO)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
MAPK1 P28482 1/20 0.44
PNP P00491 1/20 0.40
ADORA2B P29275 1/20 0.39
TLR8 Q9NR97 2/20 0.39

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
SCHEMBL2060517 0.89 TLR7 (0.45) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL5731043 0.89 ADORA1 (0.47) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL10174942 0.88 TLR7 (0.49) TLR7ADORA2AADORA1
SCHEMBL5731164 0.86 TLR7 (0.55) TLR7ADORA2AADORA1ADORA2B
SCHEMBL2060226 0.86 TLR7 (0.43) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL5730984 0.85 TLR7 (0.45) TLR7ADORA2AADORA1PNPADORA2B
SCHEMBL2060235 0.85 TLR7 (0.42) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL7204709 0.85 ADORA2A (0.47) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL7212493 0.85 ADORA2A (0.47) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL5732007 0.84 TLR7 (0.44) TLR7ADORA2AADORA1MAPK1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043021-B1 PURINE DERIVATIVES FOR THE TREATMENT OF ALLERGIC DISEASES AND SYSTEMIC LUPUS ERYTHEMATOSUS DAINIPPON SUMITOMO PHARMA CO (JP) 2006-05-03 EP disclosed
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-6376501-B1 INHIBITING OR REGULATING IMMUNE RESPONSE USING PURINE-DERIVED COMPOUND; NON-STEROIDAL COMPOUND JAPAN ENERGY CORPORATION (JP) 2002-04-23 US disclosed
EP-1043021-A1 TYPE 2 HELPER T CELL-SELECTIVE IMMUNE RESPONSE SUPPRESSORS Japan Energy Corporation (JP) 2000-10-11 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