SCHEMBL4770725

SCHEMBL4770725

Cc1cc(N=C2NC(=O)C(=Cc3cccc4cccnc34)S2)c(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.51
PTPN11 Q06124 1/20 0.46
S1PR4 O95977 1/20 0.45
RNASEL Q05823 2/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
CSNK1E P49674 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK4 Q9NR20 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 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
SCHEMBL4765545 0.86 DYRK3 (0.57) DYRK3PTPN11MAPTCSNK1ECLK1
SCHEMBL2786591 0.85 DYRK3 (0.73) DYRK3RNASELNPSR1MAPTCSNK1E
SCHEMBL13196770 0.85 DYRK3 (0.73) DYRK3RNASELNPSR1MAPTCSNK1E
SCHEMBL2786592 0.85 DYRK3 (0.73) DYRK3RNASELNPSR1MAPTCSNK1E
SCHEMBL4772766 0.83 DYRK3 (0.69) DYRK3PTPN11NPSR1CSNK1ECLK1
SCHEMBL4775509 0.82 DYRK3 (0.55) DYRK3PTPN11S1PR4CSNK1ECLK1
SCHEMBL4772146 0.82 DYRK3 (0.54) DYRK3PTPN11S1PR4RNASELCSNK1E
SCHEMBL4774341 0.82 MAPT (0.64) DYRK3PTPN11RNASELNPSR1MAPT
SCHEMBL4770650 0.80 DYRK3 (0.48) DYRK3PTPN11RNASELCSNK1ECLK1
SCHEMBL4775749 0.80 MEN1 (0.48) DYRK3PTPN11S1PR4NPSR1MAPT

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