SCHEMBL7209512

SCHEMBL7209512

CCC(C)CSc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.52
ADORA1 P30542 6/20 0.52
ADORA2B P29275 4/20 0.46
TMIGD3 P0DMS9 3/20 0.46
TLR7 Q9NYK1 8/20 0.39
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7208531 0.90 ADORA2A (0.55) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7208654 0.87 TLR7 (0.39) ADORA2AADORA1TLR7TSHRNPSR1
SCHEMBL7204591 0.87 ADORA2A (0.58) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210598 0.85 ADORA2A (0.54) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7205682 0.84 ADORA2A (0.56) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7205857 0.84 ADORA2A (0.53) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7211539 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7205103 0.83 ADORA2A (0.60) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL7205585 0.83 ADORA2A (0.54) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210266 0.82 ADORA2A (0.61) ADORA2AADORA1ADORA2BTMIGD3TLR7

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