SCHEMBL7205857

SCHEMBL7205857

CC(C)CCSc1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.53
ADORA1 P30542 6/20 0.53
ADORA2B P29275 4/20 0.44
TMIGD3 P0DMS9 3/20 0.44
MAPK1 P28482 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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 0.89 ADORA2A (0.55) ADORA2AADORA1ADORA2BTMIGD3MAPK1
SCHEMBL7205682 0.88 ADORA2A (0.56) ADORA2AADORA1ADORA2BTMIGD3MAPK1
SCHEMBL7205410 0.87 MAPK1 (0.42) ADORA2AADORA1MAPK1ADORA3TLR7
SCHEMBL7205585 0.86 ADORA2A (0.54) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7204591 0.85 ADORA2A (0.58) ADORA2AADORA1ADORA2BTMIGD3MAPK1
SCHEMBL7206709 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7211539 0.84 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL7205103 0.84 ADORA2A (0.60) ADORA2AADORA1ADORA2BTMIGD3MAPK1
SCHEMBL7209512 0.84 ADORA2A (0.52) ADORA2AADORA1ADORA2BTMIGD3MAPK1
SCHEMBL5161379 0.83 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3ADORA3

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