SCHEMBL5732055

SCHEMBL5732055

CC(C)c1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.43
KMT2A Q03164 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PNP P00491 1/20 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
SCHEMBL5730944 0.83 TLR7 (0.55) TLR7ADORA2AADORA1MAPK1KDM4E
SCHEMBL5730984 0.82 TLR7 (0.45) TLR7ADORA2AADORA1PNP
SCHEMBL7212493 0.82 ADORA2A (0.47) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL7204709 0.82 ADORA2A (0.47) TLR7ADORA2AADORA1MAPK1ALDH1A1
SCHEMBL7205691 0.81 ADORA2A (0.45) TLR7ADORA2AADORA1KDM4EGAA
SCHEMBL7208505 0.81 CNR1 (0.43) TLR7ADORA2AADORA1MAPK1ALDH1A1
SCHEMBL2060321 0.81 ADORA2A (0.46) TLR7ADORA2AADORA1MAPK1KDM4E
SCHEMBL14944613 0.81 ADORA2A (0.46) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL7209948 0.81 TSHR (0.52) TLR7KMT2AADORA2AADORA1MAPK1
SCHEMBL10174942 0.81 TLR7 (0.49) TLR7KMT2AADORA2AADORA1KDM4E

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