SCHEMBL17656297

SCHEMBL17656297

Brc1ccc2cc(-c3cnc([C@H]4N[C@@H]5CC[C@H]4C5)[nH]3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PYGL P06737 2/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SSTR3 P32745 10/20 0.33
KCNH2 Q12809 9/20 0.33
ABL1 P00519 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HPGDS O60760 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL17656261 0.88 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL12104873 0.79 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL19697871 0.78 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL9977462 0.78 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL7600347 0.77 SCN10A (0.43) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL16891266 0.76 SSTR3 (0.34) SSTR3KCNH2HPGDSCACNA1FCACNA1D
SCHEMBL12437629 0.74 SSTR3 (0.36) SSTR3KCNH2HPGDSCACNA1FCACNA1D
SCHEMBL2706498 0.73 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL204798 0.73 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14PYGL
Hydrochloric Acid SCHEMBL12098609 0.72 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14PYGL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed