SCHEMBL7205536

SCHEMBL7205536

CN(C)c1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PNP P00491 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
SCHEMBL7207412 0.89 TLR7 (0.43) TLR7ADORA2AADORA1MAPK1ALDH1A1
SCHEMBL7204696 0.85 ADORA2A (0.61) TLR7ADORA2AADORA1MAPK1KDM4E
SCHEMBL5730944 0.83 TLR7 (0.55) TLR7ADORA2AADORA1MAPK1KDM4E
SCHEMBL7212493 0.82 ADORA2A (0.47) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL7204709 0.82 ADORA2A (0.47) TLR7ADORA2AADORA1MAPK1ALDH1A1
SCHEMBL2060321 0.81 ADORA2A (0.46) TLR7ADORA2AADORA1MAPK1KDM4E
SCHEMBL14944613 0.81 ADORA2A (0.46) TLR7ADORA2AADORA1MAPK1PNP
SCHEMBL7209948 0.81 TSHR (0.52) TLR7ADORA2AADORA1MAPK1ALDH1A1
SCHEMBL10174942 0.81 TLR7 (0.49) TLR7ADORA2AADORA1KDM4EALDH1A1
SCHEMBL19370095 0.80 ADORA2A (0.45) TLR7ADORA2AADORA1MAPK1PNP

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