SCHEMBL14001099

SCHEMBL14001099

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.71
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
ALDH1A1 P00352 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 2/20 0.68
KDM4E B2RXH2 1/20 0.68
USP2 O75604 1/20 0.68
LMNA P02545 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TNF P01375 1/20 0.61
IL6 P05231 1/20 0.61
CSNK2A2 P19784 2/20 0.59
CSNK2B P67870 2/20 0.59
CSNK2A1 P68400 2/20 0.59
PTPN22 Q9Y2R2 5/20 0.58
DUSP3 P51452 5/20 0.57
PTPN7 P35236 4/20 0.57

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
SCHEMBL14001156 0.92 CSNK2A2 (0.72) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001089 0.88 ALDH1A1 (0.62) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001096 0.88 CDC25B (0.68) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001182 0.87 CDC25B (0.60) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001186 0.87 CDC25B (0.68) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001085 0.87 CDC25B (0.67) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001188 0.87 CDC25B (0.65) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001185 0.87 CDC25B (0.65) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL13980706 0.86 MEN1 (0.60) CDC25BMEN1KMT2AALDH1A1NPSR1
SCHEMBL14001086 0.84 CDC25B (0.63) CDC25BMEN1KMT2AALDH1A1NPSR1

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