SCHEMBL7205100

SCHEMBL7205100

COCSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.46
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7208552 0.89 TLR7 (0.49) TLR7TSHRNPSR1MAPK1KDM4E
SCHEMBL7211280 0.88 MAPK1 (0.43) TLR7TSHRNPSR1ADORA2AADORA1
SCHEMBL7209553 0.87 TSHR (0.44) TLR7TSHRNPSR1ADORA2AADORA1
SCHEMBL7208339 0.86 ADORA3 (0.48) TLR7TSHRNPSR1ADORA2AADORA1
SCHEMBL7209948 0.86 TSHR (0.52) TLR7TSHRNPSR1ADORA2AADORA1
SCHEMBL7209468 0.85 TLR7 (0.48) TLR7TSHRNPSR1MAPK1KDM4E
SCHEMBL7205474 0.85 TSHR (0.45) TLR7TSHRNPSR1ADORA2AADORA1
SCHEMBL7211816 0.85 TLR7 (0.44) TLR7TSHRNPSR1MAPK1KDM4E
SCHEMBL2060381 0.85 CPB1 (0.48) TLR7TSHRNPSR1KDM4EALDH1A1
SCHEMBL7205381 0.85 TLR7 (0.43) TLR7TSHRMAPK1KDM4EALDH1A1

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