SCHEMBL5732048

SCHEMBL5732048

Nc1ncnc2c1nc(O)n2CCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.72
ADORA1 P30542 8/20 0.72
FBP1 P09467 9/20 0.61
MAPK1 P28482 1/20 0.52
ADORA2B P29275 5/20 0.51
ADORA3 P0DMS8 5/20 0.51
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47

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
SCHEMBL1914306 0.86 ADORA2A (0.71) ADORA2AADORA1FBP1MAPK1ADORA2B
SCHEMBL5358021 0.84 ADORA2A (0.69) ADORA2AADORA1FBP1MAPK1ADORA2B
SCHEMBL5364361 0.84 ADORA2A (1.00) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL5357844 0.82 ADORA2A (0.73) ADORA2AADORA1FBP1MAPK1ADORA2B
SCHEMBL5359008 0.78 FBP1 (0.68) ADORA2AADORA1FBP1MAPK1ADORA2B
SCHEMBL5731471 0.76 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6346450 0.75 FBP1 (1.00) ADORA2AADORA1FBP1MAPK1ADORA2B
SCHEMBL5358382 0.75 FBP1 (1.00) ADORA2AADORA1FBP1MAPK1ADORA2B
SCHEMBL13519650 0.75 HSP90B1 (0.67) ADORA2AADORA1FBP1MAPK1
SCHEMBL16486976 0.74 HSP90B1 (0.69) ADORA2AADORA1MAPK1

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