SCHEMBL7204690

SCHEMBL7204690

Nc1nc(Nc2ccccc2)nc2c1nc(Br)n2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.60
ADORA1 P30542 6/20 0.60
ADORA2B P29275 5/20 0.58
TMIGD3 P0DMS9 3/20 0.58
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR7 Q9NYK1 3/20 0.44
ADRB2 P07550 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 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
SCHEMBL7211527 0.86 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7208425 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7206373 0.85 L3MBTL1 (0.47) ADORA2AADORA1ADORA2BTMIGD3CDK4
SCHEMBL7205425 0.84 ADORA2A (0.69) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7204596 0.83 ADORA1 (0.78) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210269 0.83 ADORA2A (0.58) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060202 0.82 ADORA2A (0.63) ADORA2AADORA1ADORA2BTMIGD3ALDH1A1
SCHEMBL7210294 0.82 ADORA2A (0.72) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7206049 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210333 0.81 ADORA2A (0.62) 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