SCHEMBL4669331

SCHEMBL4669331

CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2C1c1ccc2c(c1)OCO2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.85
MEN1 O00255 7/20 0.83
KMT2A Q03164 7/20 0.83
MAPT P10636 3/20 0.83
ALDH1A1 P00352 2/20 0.83
NPSR1 Q6W5P4 2/20 0.83
USP2 O75604 2/20 0.83
HPGD P15428 2/20 0.83
HSD17B10 Q99714 2/20 0.83
KDM4E B2RXH2 1/20 0.83
LMNA P02545 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
P2RX3 P56373 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.63
PTPN22 Q9Y2R2 4/20 0.63
DUSP3 P51452 4/20 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

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
SCHEMBL4669333 1.00 CDC25B (0.85) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4670252 0.93 CDC25B (0.84) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4670253 0.93 CDC25B (0.84) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4668193 0.93 MEN1 (0.87) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4668196 0.93 MEN1 (0.87) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4669374 0.92 CDC25B (1.00) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4669372 0.92 CDC25B (1.00) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4667584 0.92 MEN1 (0.77) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4667580 0.92 MEN1 (0.77) CDC25BMEN1KMT2AMAPTALDH1A1
SCHEMBL4668142 0.91 CDC25B (0.85) CDC25BMEN1KMT2AMAPTALDH1A1

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