SCHEMBL7210558

SCHEMBL7210558

Nc1nc(Sc2ccccc2)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK1 P28482 1/20 0.42
TLR7 Q9NYK1 9/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PNP P00491 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TLR8 Q9NR97 2/20 0.38

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
SCHEMBL7209443 0.92 TSHR (0.45) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7210306 0.89 NPSR1 (0.39) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7209948 0.88 TSHR (0.52) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7208339 0.86 ADORA3 (0.48) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7209553 0.85 TSHR (0.44) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7210239 0.85 ABCB1 (0.50) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7211495 0.85 ADORA2A (0.61) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL3874062 0.84 MAPK1 (0.56) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7208505 0.84 CNR1 (0.43) TSHRNPSR1ADORA2AADORA1MAPK1
SCHEMBL7206458 0.84 MAPK1 (0.45) TSHRNPSR1ADORA2AADORA1MAPK1

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