SCHEMBL14001022

SCHEMBL14001022

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.79
CSNK2B P67870 2/20 0.79
CSNK2A1 P68400 2/20 0.79
CDC25B P30305 2/20 0.77
PTPN22 Q9Y2R2 5/20 0.75
ALDH1A1 P00352 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
KDM4E B2RXH2 1/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
DUSP3 P51452 6/20 0.63
PTPN7 P35236 5/20 0.63
POLB P06746 3/20 0.63
PTPN12 Q05209 3/20 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 0.93 PTPN22 (0.85) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL14001087 0.90 CDC25B (0.74) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL14001021 0.90 CDC25B (0.74) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL28154910 0.88 TNF (0.80) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL13855916 0.88 PTPN22 (0.83) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL4669372 0.87 CDC25B (1.00) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL4669374 0.87 CDC25B (1.00) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL4669321 0.85 PTPN22 (0.74) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL4669323 0.85 PTPN22 (0.74) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22
SCHEMBL4668229 0.85 CDC25B (0.85) CSNK2A2CSNK2BCSNK2A1CDC25BPTPN22

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