SCHEMBL5316070

SCHEMBL5316070

Cc1nsc2nc(CC(C)C[AsH2])n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
KIF23 Q02241 1/20 0.47
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 2/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 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
SCHEMBL5232886 0.89 KIF11 (0.51) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL3864873 0.89 KIF11 (0.49) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL3869328 0.81 MAPT (0.50) KIF11KIF23NPSR1MAPTPDE4A
SCHEMBL4883072 0.79 KIF11 (0.41) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL4037664 0.78 TP53 (0.41) KIF11KIF23KDM4ETP53HPGD
SCHEMBL5742317 0.78 KIF11 (0.54) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL5742407 0.78 PDE4A (0.46) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL5316065 0.78 KIF11 (0.56) KIF11KIF23NPSR1KDM4EMAPT
SCHEMBL5316296 0.78 MAPT (0.40) KIF11KIF23KDM4EMAPTHPGD

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 2 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
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO disclosed