SCHEMBL14001087

SCHEMBL14001087

CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.74
PTPN22 Q9Y2R2 5/20 0.72
CSNK2A2 P19784 2/20 0.71
CSNK2B P67870 2/20 0.71
CSNK2A1 P68400 2/20 0.71
ALDH1A1 P00352 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
DUSP3 P51452 5/20 0.66
PTPN7 P35236 4/20 0.66
POLB P06746 3/20 0.66
PTPN12 Q05209 3/20 0.66
DNMT1 P26358 2/20 0.66
BLM P54132 2/20 0.66
CACNA1B Q00975 2/20 0.66
APBA1 Q02410 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
MAPT P10636 2/20 0.63
HPGD P15428 2/20 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
SCHEMBL14001421 0.91 PTPN22 (0.85) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL14001022 0.90 CSNK2A2 (0.79) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL14001021 0.88 CDC25B (0.74) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL4669020 0.87 CSNK2A2 (0.65) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL4669022 0.87 CSNK2A2 (0.65) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL4669385 0.87 DUSP3 (0.78) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL4669384 0.87 DUSP3 (0.78) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL14001018 0.87 DUSP3 (0.78) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL13855916 0.86 PTPN22 (0.83) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1
SCHEMBL4669374 0.85 CDC25B (1.00) CDC25BPTPN22CSNK2A2CSNK2BCSNK2A1

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
WO-2008149311-A1 USE OF DERIVATIVES OF 3-OXO-2,3-DIHYDRO-5H-THIAZOLOF[3,2-A]PYRIMIDINE OR OF 3-OXO-2,3-DIHYDRO-5H-SELENAZOLO[3,2-A]PYRIMIDINE OR OF 3-OXO-1,2,3-TRIHYDRO-5H-IMIDAZOLO[1,2-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) 2008-12-11 WO disclosed