SCHEMBL4772146

SCHEMBL4772146

O=C1NC(=Nc2ccc(C(F)(F)F)cc2Cl)SC1=Cc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.54
CNR1 P21554 1/20 0.48
GSK3B P49841 2/20 0.46
CSNK1E P49674 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK4 Q9NR20 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
PTPN11 Q06124 1/20 0.46
RNASEL Q05823 1/20 0.44
MEN1 O00255 4/20 0.43
POLB P06746 4/20 0.43
KMT2A Q03164 4/20 0.43
NSD2 O96028 1/20 0.43
CASP6 P55212 1/20 0.43
GALR3 O60755 1/20 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
SCHEMBL4775509 0.93 DYRK3 (0.55) DYRK3CNR1GSK3BCSNK1ECLK1
SCHEMBL2788037 0.85 DYRK3 (0.75) DYRK3CNR1GSK3BCSNK1ECLK1
SCHEMBL13196776 0.85 DYRK3 (0.75) DYRK3CNR1GSK3BCSNK1ECLK1
SCHEMBL2788035 0.85 DYRK3 (0.75) DYRK3CNR1GSK3BCSNK1ECLK1
SCHEMBL4772766 0.85 DYRK3 (0.69) DYRK3GSK3BCSNK1ECLK1CLK2
SCHEMBL4765545 0.83 DYRK3 (0.57) DYRK3GSK3BCSNK1ECLK1CLK2
SCHEMBL4771030 0.82 DYRK3 (0.53) DYRK3CNR1GSK3BPTPN11MEN1
SCHEMBL4770725 0.82 DYRK3 (0.51) DYRK3GSK3BCSNK1ECLK1CLK2
SCHEMBL4772304 0.78 DYRK3 (0.68) DYRK3GSK3BPTPN11MEN1POLB
SCHEMBL13196742 0.78 DYRK3 (0.76) DYRK3CNR1GSK3BCSNK1ECLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed