SCHEMBL5316065

SCHEMBL5316065

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
KIF23 Q02241 1/20 0.56
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3865058 0.87 KIF11 (0.59) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL3867473 0.87 KIF11 (0.56) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL5742313 0.82 KIF11 (0.58) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL3868894 0.82 KIF11 (0.56) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL13871288 0.82 KIF11 (0.53) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL3864873 0.80 KIF11 (0.49) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL3892326 0.78 KIF11 (0.49) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL5316070 0.78 KIF11 (0.47) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL4039113 0.76 KIF11 (0.47) KIF11KIF23KDM4ENPSR1GAA
SCHEMBL4037033 0.76 KIF11 (0.49) KIF11KIF23KDM4ENPSR1GAA

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