SCHEMBL4670366

SCHEMBL4670366

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC(C)=O)c3)c(=O)n2C1c1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.74
KMT2A Q03164 8/20 0.74
DNMT1 P26358 2/20 0.65
PSMD14 O00487 1/20 0.65
PTPN22 Q9Y2R2 5/20 0.65
CTDSP1 Q9GZU7 1/20 0.64
CSNK2A2 P19784 2/20 0.64
CSNK2B P67870 2/20 0.64
CSNK2A1 P68400 2/20 0.64
ALDH1A1 P00352 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
MMP14 P50281 1/20 0.64
DUSP3 P51452 3/20 0.63
PTPN1 P18031 1/20 0.63
PPM1A P35813 1/20 0.63
PTPN9 P43378 1/20 0.63
PTPN5 P54829 1/20 0.63
PTPN18 Q99952 1/20 0.63

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
SCHEMBL4670363 1.00 MEN1 (0.74) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4667634 0.92 PTPN22 (0.66) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4667632 0.92 PTPN22 (0.66) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4669054 0.89 ALDH1A1 (0.78) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4669050 0.89 ALDH1A1 (0.78) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4669020 0.88 CSNK2A2 (0.65) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4669022 0.88 CSNK2A2 (0.65) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4669049 0.88 DNMT1 (0.74) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4669053 0.88 DNMT1 (0.74) MEN1KMT2ADNMT1PSMD14PTPN22
SCHEMBL4667559 0.86 CDC25B (0.80) MEN1KMT2ADNMT1PSMD14PTPN22

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-2000140-A1 Use of derivatives of 3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine or of 3-oxo-2,3-dihydro-5H-imidazolo[3,2-a]pyrimidine for the preparation of pharmaceutical compositions intended for the treatment of cancer INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-12-10 EP disclosed