SCHEMBL4771030

SCHEMBL4771030

O=C1NC(=Nc2ccccc2C(F)(F)F)SC1=Cc1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.53
NPSR1 Q6W5P4 2/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
CNR1 P21554 1/20 0.45
MAPT P10636 3/20 0.45
PTPN11 Q06124 1/20 0.45
CISD1 Q9NZ45 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
GSK3B P49841 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
SCHEMBL13196740 0.83 DYRK3 (0.76) DYRK3NPSR1CNR1MAPTMEN1
SCHEMBL2787639 0.83 DYRK3 (0.76) DYRK3NPSR1CNR1MAPTMEN1
SCHEMBL2787640 0.83 DYRK3 (0.76) DYRK3NPSR1CNR1MAPTMEN1
SCHEMBL4770970 0.82 DYRK3 (0.52) DYRK3NPSR1MAPTPTPN11CISD1
SCHEMBL4770141 0.82 MEN1 (0.56) DYRK3NPSR1MAPTPTPN11MEN1
SCHEMBL4772146 0.82 DYRK3 (0.54) DYRK3CNR1PTPN11CISD1MEN1
SCHEMBL4775509 0.82 DYRK3 (0.55) DYRK3CNR1PTPN11CISD1MEN1
SCHEMBL4774341 0.82 MAPT (0.64) DYRK3NPSR1MAPTPTPN11CISD1

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