SCHEMBL7205773

SCHEMBL7205773

COc1cccc(CSc2nc(N)c3nc(O)n(Cc4ccccc4)c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.48
CTSB P07858 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.43
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7210562 0.90 CTSB (0.46) TLR7CTSBTDP1MAPTTP53
SCHEMBL10309751 0.87 ALDH1A1 (0.45) TLR7TDP1PTGDR2MAPTTP53
SCHEMBL7208339 0.86 ADORA3 (0.48) TLR7ALDH1A1POLBHTTCYP1A2
SCHEMBL7205483 0.86 TOP2A (0.45) TLR7CTSBTDP1PTGDR2MAPT
SCHEMBL2060384 0.85 TLR7 (0.43) TLR7MAPTALDH1A1
SCHEMBL2060176 0.85 DRD2 (0.51) TLR7PTGDR2TP53KMT2AALDH1A1
SCHEMBL2060430 0.83 SMN1; SMN2 (0.52) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL2060205 0.83 ADORA3 (0.40) PTGDR2ALDH1A1POLBHTTNPSR1
SCHEMBL10309752 0.83 RAB9A (0.45) TLR7MAPTTP53ALDH1A1POLB
SCHEMBL7205100 0.82 TLR7 (0.46) TLR7MAPTALDH1A1NPSR1

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