SCHEMBL4941016

SCHEMBL4941016

Cc1cccc(NC2=NC(=O)/C(=C\c3ccc4ncccc4c3)S2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIM1 P11309 1/20 0.48
CSNK2A2 P19784 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
CLK1 P49759 1/20 0.48
CLK3 P49761 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
DYRK1A Q13627 1/20 0.48
HASPIN Q8TF76 1/20 0.48
DYRK2 Q92630 1/20 0.48
MYLK2 Q9H1R3 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
STK17A Q9UEE5 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
DYRK3 O43781 4/20 0.43
CDK1 P06493 4/20 0.42
PRKCD Q05655 3/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL3000124 1.00 PIK3CD (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL3000126 1.00 PIK3CD (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2987084 0.86 PIK3CD (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2987083 0.86 PIK3CD (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2990291 0.84 PIK3CD (0.49) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2990295 0.84 PIK3CD (0.49) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2983644 0.84 PIK3CD (0.55) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2983639 0.84 PIK3CD (0.55) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4871523 0.84 PIK3CD (0.55) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2998975 0.83 PIK3CD (0.50) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG

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