SCHEMBL4641944

SCHEMBL4641944

O=C1N=C(Nc2c(Cl)cc(Cl)cc2Cl)S/C1=C/c1ccc2nccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.48
DYRK1A Q13627 4/20 0.48
DYRK2 Q92630 3/20 0.48
DYRK1B Q9Y463 3/20 0.48
PIK3CD O00329 3/20 0.48
CSNK2A2 P19784 3/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CG P48736 3/20 0.48
CISD1 Q9NZ45 2/20 0.48
PIK3CB P42338 2/20 0.48
MTOR P42345 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
NPC1 O15118 1/20 0.48
MAOB P27338 1/20 0.48
RAB9A P51151 1/20 0.48
DYRK3 O43781 2/20 0.45
CLK2 P49760 2/20 0.45
CLK3 P49761 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45

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
SCHEMBL45468 1.00 CLK1 (0.48) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL45467 1.00 CLK1 (0.48) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL4641203 0.99 CLK1 (0.47) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL4641199 0.99 CLK1 (0.47) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL4955057 0.99 CLK1 (0.47) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL4148685 0.91 CLK1 (0.53) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL2993704 0.91 CLK1 (0.53) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL2993698 0.91 CLK1 (0.53) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL3393661 0.90 CLK1 (0.52) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL3393650 0.90 CLK1 (0.52) CLK1DYRK1ADYRK2DYRK1BPIK3CD

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-1888557-A2 (5Z)-5-(6-QUINOXALINYLMETHYLIDENE)-2-Ý(2,4,6-TRICHLOROPHENYL)AMINO¨-1,3-THIAZOL-4(5H)-ONE Smithkline Beecham Corporation (US) 2008-02-20 EP disclosed
WO-2006133381-A2 (5Z)-5-(6-QUINOXALINYLMETHYLIDENE)-2-[(2,4,6-TRICHLOROPHENYL)AMINO]-1,3-THIAZOL-4(5H)-ONE SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed