SCHEMBL7204372

SCHEMBL7204372

CCC(C)Nc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.45
ADORA2B P29275 7/20 0.45
ADORA1 P30542 7/20 0.45
TMIGD3 P0DMS9 6/20 0.45
ADORA3 P0DMS8 3/20 0.44
TLR7 Q9NYK1 9/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK1 P06493 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
SCHEMBL7205691 0.90 ADORA2A (0.45) ADORA2AADORA2BADORA1TMIGD3ADORA3
SCHEMBL7205552 0.87 ADORA2A (0.58) ADORA2AADORA2BADORA1TMIGD3ADORA3
SCHEMBL7206459 0.84 TMIGD3 (0.54) ADORA2AADORA2BADORA1TMIGD3TLR7
SCHEMBL7206499 0.83 TLR7 (0.47) ADORA2AADORA2BADORA1TMIGD3TLR7
SCHEMBL7209368 0.83 TMIGD3 (0.48) ADORA2AADORA2BADORA1TMIGD3TLR7
SCHEMBL7208663 0.82 TMIGD3 (0.57) ADORA2AADORA2BADORA1TMIGD3TLR7
SCHEMBL7211508 0.81 ADORA2A (0.59) ADORA2AADORA2BADORA1TMIGD3ADORA3
SCHEMBL7209428 0.81 ADORA2A (0.48) ADORA2AADORA2BADORA1TMIGD3ADORA3
SCHEMBL7206373 0.80 L3MBTL1 (0.47) ADORA2AADORA2BADORA1TMIGD3ADORA3
SCHEMBL4474934 0.80 TLR7 (0.62) ADORA2AADORA2BADORA1TMIGD3TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed