SCHEMBL7205552

SCHEMBL7205552

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.58
ADORA1 P30542 9/20 0.58
TMIGD3 P0DMS9 7/20 0.58
ADORA2B P29275 6/20 0.58
TLR7 Q9NYK1 9/20 0.42
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL7210269 0.90 ADORA2A (0.58) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7204372 0.87 ADORA2A (0.45) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205425 0.84 ADORA2A (0.69) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7211527 0.83 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205539 0.83 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7210294 0.82 ADORA2A (0.72) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7208425 0.81 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7210333 0.81 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7204690 0.80 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7209091 0.80 ADORA2A (0.74) ADORA2AADORA1TMIGD3ADORA2BTLR7

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