SCHEMBL7209500

SCHEMBL7209500

CSc1nc(N)c2nc(O)n(Cc3ccc(F)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SRC P12931 7/20 0.42
FLT3 P36888 5/20 0.42
FYN P06241 5/20 0.42
ABL1 P00519 1/20 0.41
FBP1 P09467 2/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR7 Q9NYK1 6/20 0.39
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37

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
SCHEMBL7209948 0.87 TSHR (0.52) ALDH1A1HSD17B10FBP1TSHRNPSR1
SCHEMBL7208352 0.85 TLR7 (0.41) TLR7
SCHEMBL7209290 0.84 TLR7 (0.40) ALDH1A1HSD17B10TSHRNPSR1TLR7
SCHEMBL7209444 0.83 TLR7 (0.38) ALDH1A1TSHRNPSR1TLR7CDK9
SCHEMBL5730393 0.80 TLR7 (0.55) TLR7
SCHEMBL5732110 0.78 ADORA2A (0.53) ALDH1A1FBP1TSHR
SCHEMBL7205474 0.77 TSHR (0.45) ALDH1A1HSD17B10TSHRNPSR1TLR7
SCHEMBL7210390 0.77 TLR7 (0.60) TLR7
SCHEMBL7209553 0.77 TSHR (0.44) ALDH1A1HSD17B10TSHRNPSR1TLR7
SCHEMBL7211567 0.76 TSHR (0.44) ALDH1A1HSD17B10TSHRNPSR1TLR7

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