SCHEMBL4770970

SCHEMBL4770970

CSc1ccccc1N=C1NC(=O)C(=Cc2cccc3cccnc23)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.52
NPSR1 Q6W5P4 4/20 0.46
MAPT P10636 4/20 0.45
PTPN11 Q06124 1/20 0.45
CISD1 Q9NZ45 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
GALR3 O60755 1/20 0.42
USP2 O75604 1/20 0.42
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
GSK3B P49841 2/20 0.41
CSNK1E P49674 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL4772304 0.86 DYRK3 (0.68) DYRK3NPSR1MAPTPTPN11CISD1
SCHEMBL4772766 0.85 DYRK3 (0.69) DYRK3NPSR1PTPN11MEN1KMT2A
SCHEMBL4770141 0.84 MEN1 (0.56) DYRK3NPSR1MAPTPTPN11MEN1
SCHEMBL4774341 0.84 MAPT (0.64) DYRK3NPSR1MAPTPTPN11CISD1
SCHEMBL2789618 0.83 DYRK3 (0.76) DYRK3NPSR1MAPTCISD1MEN1
SCHEMBL13196735 0.83 DYRK3 (0.76) DYRK3NPSR1MAPTCISD1MEN1
SCHEMBL2789616 0.83 DYRK3 (0.76) DYRK3NPSR1MAPTCISD1MEN1
SCHEMBL4771030 0.82 DYRK3 (0.53) DYRK3NPSR1MAPTPTPN11CISD1
SCHEMBL4775749 0.78 MEN1 (0.48) DYRK3NPSR1MAPTPTPN11CISD1
SCHEMBL4765545 0.77 DYRK3 (0.57) DYRK3MAPTPTPN11CISD1MEN1

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