SCHEMBL5732024

SCHEMBL5732024

Cc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.65
ADORA1 P30542 5/20 0.65
TLR7 Q9NYK1 12/20 0.55
TMIGD3 P0DMS9 3/20 0.53
ADORA2B P29275 3/20 0.53
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7206049 0.86 ADORA2A (0.68) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL2913215 0.84 ADORA2A (0.67) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL5731960 0.83 TLR7 (0.55) ADORA2AADORA1TLR7KDM4ETSHR
SCHEMBL5730944 0.83 TLR7 (0.55) ADORA2AADORA1TLR7KDM4ETSHR
SCHEMBL7205701 0.83 ADORA2A (0.61) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL7210266 0.83 ADORA2A (0.61) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL7211527 0.83 ADORA2A (0.62) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL7204696 0.83 ADORA2A (0.61) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL20343824 0.82 ADORA2A (0.60) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL3146728 0.81 ADORA2A (0.62) ADORA2AADORA1TLR7TMIGD3ADORA2B

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