SCHEMBL7209551

SCHEMBL7209551

Nc1nc(CCCC(O)=S)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.48
ADORA2A P29274 6/20 0.40
ADORA1 P30542 6/20 0.40
ADORA2B P29275 3/20 0.40
TLR8 Q9NR97 4/20 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
SCHEMBL14983805 0.86 TLR7 (0.46) TLR7ADORA2AADORA1ADORA2BTLR8
SCHEMBL14983804 0.86 TLR7 (0.48) TLR7ADORA2AADORA1ADORA2BTLR8
SCHEMBL7209547 0.86 TLR7 (0.46) TLR7ADORA2AADORA1ADORA2BTLR8
SCHEMBL2060076 0.85 TLR7 (0.46) TLR7ADORA2AADORA1ADORA2BTLR8
SCHEMBL1001748 0.85 TLR7 (0.64) TLR7ADORA2AADORA1ADORA2B
SCHEMBL5731164 0.84 TLR7 (0.55) TLR7ADORA2AADORA1ADORA2B
SCHEMBL10174942 0.84 TLR7 (0.49) TLR7ADORA2AADORA1
SCHEMBL5732120 0.84 TLR7 (0.63) TLR7ADORA2AADORA1ADORA2B
SCHEMBL2060517 0.83 TLR7 (0.45) TLR7ADORA2AADORA1ADORA2BTLR8
SCHEMBL5731379 0.83 TLR7 (0.45) TLR7ADORA2AADORA1ADORA2BTLR8

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