SCHEMBL4668189

SCHEMBL4668189

CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2C1c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.82
KMT2A Q03164 9/20 0.82
PTPN22 Q9Y2R2 5/20 0.82
ALDH1A1 P00352 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
TNF P01375 1/20 0.78
IL6 P05231 1/20 0.78
DUSP3 P51452 6/20 0.70
PTPN7 P35236 5/20 0.70
POLB P06746 4/20 0.70
PTPN12 Q05209 3/20 0.70
BLM P54132 2/20 0.70
CACNA1B Q00975 2/20 0.70
APBA1 Q02410 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
DNMT1 P26358 1/20 0.70
CSNK2A2 P19784 2/20 0.69
CSNK2B P67870 2/20 0.69
CSNK2A1 P68400 2/20 0.69
DUSP6 Q16828 2/20 0.68

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
SCHEMBL4668190 1.00 MEN1 (0.82) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL9899957 0.94 MEN1 (0.77) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL9899958 0.94 MEN1 (0.77) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL4669154 0.91 MEN1 (0.80) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL4669151 0.91 MEN1 (0.80) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL14103252 0.91 MEN1 (0.75) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL14001421 0.89 PTPN22 (0.85) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL12325374 0.89 MEN1 (0.71) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL9899234 0.89 MEN1 (0.71) MEN1KMT2APTPN22ALDH1A1NPSR1
SCHEMBL9899163 0.89 MEN1 (0.71) MEN1KMT2APTPN22ALDH1A1NPSR1

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