SCHEMBL14001085

SCHEMBL14001085

COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2C1c1ccc2c(c1)OCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.67
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
NPSR1 Q6W5P4 4/20 0.57
MAPT P10636 4/20 0.57
USP2 O75604 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTPN22 Q9Y2R2 2/20 0.55
POLB P06746 4/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
HBB P68871 1/20 0.52
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50

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
SCHEMBL13980687 0.92 CDC25B (0.60) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL14001086 0.91 CDC25B (0.63) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL14001186 0.89 CDC25B (0.68) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL13980691 0.89 CDC25B (0.60) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL4669052 0.88 CDC25B (0.85) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL4669058 0.88 CDC25B (0.85) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL14001099 0.87 CDC25B (0.71) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL14001156 0.85 CSNK2A2 (0.72) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL14001096 0.84 CDC25B (0.68) CDC25BMEN1KMT2ANPSR1MAPT
SCHEMBL14001193 0.83 CSNK2A2 (0.56) CDC25BMEN1KMT2ANPSR1MAPT

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