SCHEMBL7204696

SCHEMBL7204696

CN(C)c1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.61
ADORA1 P30542 5/20 0.61
TMIGD3 P0DMS9 3/20 0.50
ADORA2B P29275 3/20 0.50
TLR7 Q9NYK1 8/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7204601 0.89 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205536 0.85 TLR7 (0.44) ADORA2AADORA1TLR7KDM4EALDH1A1
SCHEMBL5732024 0.83 ADORA2A (0.65) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7206049 0.82 ADORA2A (0.68) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL2913215 0.81 ADORA2A (0.67) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7210266 0.80 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205701 0.80 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7211527 0.80 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL20343824 0.79 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL3146728 0.78 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7

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