SCHEMBL4765545

SCHEMBL4765545

O=C1NC(=Nc2cc(F)ccc2Cl)SC1=Cc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.57
PTPN11 Q06124 1/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 5/20 0.46
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
MAPT P10636 1/20 0.46
NSD2 O96028 1/20 0.45
CASP6 P55212 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.43
GALR3 O60755 1/20 0.43

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 0.88 DYRK3 (0.55) DYRK3PTPN11MEN1KMT2APOLB
SCHEMBL4772766 0.87 DYRK3 (0.69) DYRK3PTPN11MEN1KMT2APOLB
SCHEMBL4770725 0.86 DYRK3 (0.51) DYRK3PTPN11MEN1KMT2APOLB
SCHEMBL2789860 0.84 DYRK3 (0.80) DYRK3MEN1KMT2APOLBGSK3B
SCHEMBL2789859 0.84 DYRK3 (0.80) DYRK3MEN1KMT2APOLBGSK3B
SCHEMBL13196771 0.84 DYRK3 (0.80) DYRK3MEN1KMT2APOLBGSK3B
SCHEMBL4772146 0.83 DYRK3 (0.54) DYRK3PTPN11MEN1KMT2APOLB
SCHEMBL4772304 0.80 DYRK3 (0.68) DYRK3PTPN11MEN1KMT2APOLB
SCHEMBL4770650 0.79 DYRK3 (0.48) DYRK3PTPN11MEN1KMT2APOLB
SCHEMBL4770141 0.79 MEN1 (0.56) DYRK3PTPN11MEN1KMT2APOLB

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