SCHEMBL6209290

SCHEMBL6209290

Cc1noc2nc(CCCN(CCCN)C(=O)c3cccc(Cl)c3Cl)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.52
SMN1; SMN2 Q16637 1/20 0.38
KIF23 Q02241 1/20 0.38
PTGES O14684 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL3961772 0.86 KIF11 (0.67) KIF11KIF23
SCHEMBL3962677 0.85 KIF11 (0.52) KIF11KIF23
SCHEMBL6206668 0.84 KIF11 (0.59) KIF11SMN1; SMN2KIF23
SCHEMBL6207965 0.84 KIF11 (0.56) KIF11SMN1; SMN2KIF23
SCHEMBL6209044 0.83 KIF11 (0.57) KIF11KIF23
SCHEMBL4036952 0.81 KIF11 (0.76) KIF11
Hydrochloric Acid SCHEMBL4046692 0.81 KIF11 (0.75) KIF11
Hydrochloric Acid SCHEMBL4046690 0.80 KIF11 (0.74) KIF11
SCHEMBL5739696 0.77 KIF11 (0.55) KIF11SMN1; SMN2KIF23PDE4APDE4B
SCHEMBL5740356 0.76 KIF11 (0.44) KIF11SMN1; SMN2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP claimed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO claimed
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