SCHEMBL5232886

SCHEMBL5232886

Cc1nsc2nc(CC(C)CN)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
KIF23 Q02241 1/20 0.51
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TSHR P16473 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5233894 0.89 KIF11 (0.47) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL5316070 0.89 KIF11 (0.47) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL3864873 0.89 KIF11 (0.49) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL5742317 0.83 KIF11 (0.54) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL3869328 0.81 MAPT (0.50) KIF11KIF23NPSR1MAPTTLR7
SCHEMBL3958171 0.80 KIF11 (0.63) KIF11KIF23CYP2C19
SCHEMBL4883072 0.79 KIF11 (0.41) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL3964844 0.79 KIF11 (0.55) KIF11KIF23CYP2C19
SCHEMBL360705 0.79 KIF11 (0.68) KIF11KIF23CYP2C19
SCHEMBL6208130 0.79 KIF11 (0.48) KIF11NPSR1KDM4EMAPTGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
EP-1781674-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTION OF CANCER AstraZeneca AB (SE) 2007-05-09 EP disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
WO-2006018628-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTI ON OF CANCER ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO disclosed