SCHEMBL7205585

SCHEMBL7205585

CCCCSc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.54
ADORA1 P30542 4/20 0.54
TMIGD3 P0DMS9 3/20 0.50
ADORA2B P29275 3/20 0.50
TLR7 Q9NYK1 5/20 0.47
KMT2A Q03164 1/20 0.44

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
SCHEMBL7206709 0.97 ADORA2A (0.53) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205682 0.93 ADORA2A (0.56) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7204591 0.89 ADORA2A (0.58) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL3949089 0.87 KMT2A (0.46) TLR7KMT2A
SCHEMBL7205545 0.87 TLR7 (0.47) TLR7KMT2A
SCHEMBL7205857 0.86 ADORA2A (0.53) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5162807 0.85 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205103 0.85 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5163515 0.85 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5163823 0.85 ADORA2A (0.65) 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