SCHEMBL4951540

SCHEMBL4951540

CSC1=NC(=O)/C(=C\c2ccc3nccnc3c2)S1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 6/20 0.62
GAA P10253 2/20 0.62
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58
CLK1 P49759 3/20 0.56
DYRK1A Q13627 3/20 0.56
DYRK2 Q92630 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
PIK3CD O00329 2/20 0.56
CSNK2A2 P19784 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
MTOR P42345 2/20 0.56
PIK3CG P48736 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
MAOB P27338 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56

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
SCHEMBL496964 1.00 MAPT (0.62) MAPTALDH1A1GAAMYCMAX
SCHEMBL496962 1.00 MAPT (0.62) MAPTALDH1A1GAAMYCMAX
SCHEMBL4944702 0.85 MAPT (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL497003 0.85 MAPT (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL497004 0.85 MAPT (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL14437313 0.79 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL5503992 0.79 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL5503991 0.79 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL3865325 0.79 MAPT (0.55) MAPTALDH1A1GAAMYCMAX
SCHEMBL3865324 0.79 MAPT (0.55) MAPTALDH1A1GAAMYCMAX

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-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO disclosed