SCHEMBL7204601

SCHEMBL7204601

CN(Cc1ccccc1)c1nc(N)c2nc(Br)n(Cc3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.60
ADORA1 P30542 6/20 0.60
ADORA2B P29275 4/20 0.47
TMIGD3 P0DMS9 3/20 0.47
TLR7 Q9NYK1 5/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PIM1 P11309 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7204696 0.89 ADORA2A (0.61) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7207412 0.86 TLR7 (0.43) ADORA2AADORA1TLR7LMNAMAPT
SCHEMBL5732024 0.80 ADORA2A (0.65) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7206049 0.79 ADORA2A (0.68) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2913215 0.78 ADORA2A (0.67) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7211257 0.77 PDE4A (0.58) ADORA2AADORA1ADORA2BTMIGD3ALDH1A1
SCHEMBL7205701 0.77 ADORA2A (0.61) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7211527 0.77 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210266 0.77 ADORA2A (0.61) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210269 0.76 ADORA2A (0.58) 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