SCHEMBL17948117

SCHEMBL17948117

c1cc(-c2cnc([C@@H]3C[C@@H]4CC4N3)[nH]2)ccc1-c1ccc2cc(-c3cnc([C@@H]4C[C@@H]5CC5N4)[nH]3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 2/20 0.39
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ SSTR3 P32745 13/20 0.35
▸ KCNH2 Q12809 13/20 0.35
▸ CACNA1F O60840 2/20 0.33
▸ CACNA1D Q01668 2/20 0.33
▸ CACNA1S Q13698 2/20 0.33
▸ CACNA1C Q13936 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL12647750 1.00 PYGL (0.39) PYGLMAPK13MAPK12MAPK11MAPK14
SCHEMBL1293594 1.00 PYGL (0.39) PYGLMAPK13MAPK12MAPK11MAPK14
SCHEMBL12107494 1.00 PYGL (0.39) PYGLMAPK13MAPK12MAPK11MAPK14
SCHEMBL1293592 1.00 PYGL (0.39) PYGLMAPK13MAPK12MAPK11MAPK14
SCHEMBL15127692 0.91 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL15106702 0.91 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL754149 0.91 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL17563566 0.91 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL13635811 0.91 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL12159997 0.91 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 — — EP disclosed
Send feedback