SCHEMBL4667632

SCHEMBL4667632

CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)c(=O)n2C1c1cccc(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 3/20 0.66
ALDH1A1 P00352 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
MEN1 O00255 10/20 0.63
KMT2A Q03164 10/20 0.63
MAPT P10636 3/20 0.63
GAA P10253 1/20 0.63
MMP14 P50281 1/20 0.63
PTPN7 P35236 2/20 0.60
DUSP3 P51452 2/20 0.60
DUSP6 Q16828 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
PSMD14 O00487 1/20 0.59
DNMT1 P26358 1/20 0.59
USP2 O75604 2/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL4667634 1.00 PTPN22 (0.66) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4670366 0.92 MEN1 (0.74) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4670363 0.92 MEN1 (0.74) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4669054 0.87 ALDH1A1 (0.78) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4669050 0.87 ALDH1A1 (0.78) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4669020 0.86 CSNK2A2 (0.65) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4669022 0.86 CSNK2A2 (0.65) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4667556 0.84 CDC25B (0.80) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4667559 0.84 CDC25B (0.80) PTPN22ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4669053 0.83 DNMT1 (0.74) PTPN22ALDH1A1NPSR1MEN1KMT2A

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