SCHEMBL7208552

SCHEMBL7208552

COCCSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.49
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.42
NUDT1 P36639 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL7209468 0.94 TLR7 (0.48) TLR7TSHRKDM4EALDH1A1GLA
SCHEMBL7205381 0.89 TLR7 (0.43) TLR7TSHRKDM4EALDH1A1GAA
SCHEMBL7209290 0.89 TLR7 (0.40) TLR7TSHRKDM4EALDH1A1GLA
SCHEMBL7205100 0.89 TLR7 (0.46) TLR7TSHRKDM4EALDH1A1GLA
SCHEMBL7211816 0.88 TLR7 (0.44) TLR7TSHRKDM4EALDH1A1GAA
SCHEMBL7206075 0.88 TLR7 (0.42) TLR7TSHRKDM4EALDH1A1GAA
SCHEMBL7210239 0.88 ABCB1 (0.50) TSHRALDH1A1GAAMAPTMAPK1
SCHEMBL5464911 0.88 TLR7 (0.41) TLR7TSHRKDM4EALDH1A1GLA
SCHEMBL7211524 0.87 MAPK1 (0.45) TLR7TSHRKDM4EALDH1A1GLA
SCHEMBL7211567 0.87 TSHR (0.44) TLR7TSHRKDM4EALDH1A1GAA

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