SCHEMBL4949539

SCHEMBL4949539

COC(=O)Cl.O=C(O)NCc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.40
CISD1 Q9NZ45 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
PIK3CG P48736 1/20 0.38
CLK1 P49759 1/20 0.38
CLK3 P49761 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
HASPIN Q8TF76 1/20 0.38
DYRK2 Q92630 1/20 0.38
MYLK2 Q9H1R3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STK17A Q9UEE5 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CDK1 P06493 4/20 0.37
PRKCD Q05655 3/20 0.37

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
SCHEMBL2991366 0.95 DYRK3 (0.43) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2991369 0.95 DYRK3 (0.43) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2994965 0.90 DYRK3 (0.40) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2994955 0.90 DYRK3 (0.40) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2995955 0.90 CISD1 (0.43) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2995953 0.90 CISD1 (0.43) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2991094 0.89 DYRK3 (0.40) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2991096 0.89 DYRK3 (0.40) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2990347 0.88 DYRK3 (0.42) DYRK3CISD1PIK3CDPIK3CAPIM1
SCHEMBL2990345 0.88 DYRK3 (0.42) DYRK3CISD1PIK3CDPIK3CAPIM1

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