SCHEMBL4775749

SCHEMBL4775749

Cc1cc(C)c(N=C2NC(=O)C(=Cc3cccc4cccnc34)S2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 6/20 0.48
NPSR1 Q6W5P4 4/20 0.48
RECQL P46063 1/20 0.48
DYRK3 O43781 5/20 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
GSK3B P49841 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
S1PR4 O95977 1/20 0.45
CISD1 Q9NZ45 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL4774341 0.84 MAPT (0.64) MEN1KMT2AMAPTNPSR1RECQL
SCHEMBL13196826 0.83 DYRK3 (0.68) MEN1KMT2AMAPTNPSR1RECQL
SCHEMBL2789236 0.83 DYRK3 (0.68) MEN1KMT2AMAPTNPSR1RECQL
SCHEMBL2789235 0.83 DYRK3 (0.68) MEN1KMT2AMAPTNPSR1RECQL
SCHEMBL4770725 0.80 DYRK3 (0.51) MEN1KMT2AMAPTNPSR1RECQL
SCHEMBL4772304 0.79 DYRK3 (0.68) MEN1KMT2AMAPTNPSR1DYRK3
SCHEMBL4772766 0.78 DYRK3 (0.69) MEN1KMT2ANPSR1DYRK3CSNK1E
SCHEMBL4770141 0.78 MEN1 (0.56) MEN1KMT2AMAPTNPSR1DYRK3
SCHEMBL4770970 0.78 DYRK3 (0.52) MEN1KMT2AMAPTNPSR1RECQL
SCHEMBL4374242 0.78 DYRK3 (0.54) DYRK3GSK3BCISD1POLBPTPN11

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