SCHEMBL7205682

SCHEMBL7205682

CCCSc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.56
ADORA1 P30542 5/20 0.56
TMIGD3 P0DMS9 3/20 0.52
ADORA2B P29275 3/20 0.52
TLR7 Q9NYK1 6/20 0.44
KDM1A O60341 1/20 0.43
MAPK1 P28482 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
SCHEMBL7205585 0.93 ADORA2A (0.54) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7206709 0.92 ADORA2A (0.53) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7204591 0.91 ADORA2A (0.58) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205857 0.88 ADORA2A (0.53) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205103 0.87 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2BMAPK1
SCHEMBL7211816 0.86 TLR7 (0.44) TLR7KDM1AMAPK1
SCHEMBL7210266 0.85 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5163854 0.85 ADORA2A (0.65) ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL7208531 0.85 ADORA2A (0.55) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5158659 0.85 ADORA2A (0.53) ADORA2AADORA1TMIGD3ADORA2B

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