SCHEMBL4944702

SCHEMBL4944702

CSC1=NC(=O)/C(=C\c2ccc3ncccc3c2)S1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
PIK3CD O00329 2/20 0.56
CSNK2A2 P19784 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CG P48736 2/20 0.56
CLK1 P49759 2/20 0.56
CSNK2B P67870 2/20 0.56
CSNK2A1 P68400 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK2 Q92630 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
PIM1 P11309 1/20 0.56
CLK3 P49761 1/20 0.56
HASPIN Q8TF76 1/20 0.56
MYLK2 Q9H1R3 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
STK17A Q9UEE5 1/20 0.56
KMT2A Q03164 2/20 0.54

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
SCHEMBL497003 1.00 MAPT (0.56) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL497004 1.00 MAPT (0.56) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL496962 0.85 MAPT (0.62) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL4951540 0.85 MAPT (0.62) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL496964 0.85 MAPT (0.62) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL3865325 0.82 MAPT (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL3865324 0.82 MAPT (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL4871523 0.82 PIK3CD (0.55) MAPTALDH1A1PIK3CDCSNK2A2PIK3CA
SCHEMBL2983639 0.80 PIK3CD (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL2983644 0.80 PIK3CD (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2

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