SCHEMBL6206668

SCHEMBL6206668

Cc1noc2nc(CCCN(CCCN)C(=O)c3ccc(F)cc3)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.59
KIF23 Q02241 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38

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 0.94 KIF11 (0.67) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6207965 0.93 KIF11 (0.56) KIF11KIF23SMN1; SMN2MAP1LC3BCYP3A4
SCHEMBL6209044 0.91 KIF11 (0.57) KIF11KIF23
SCHEMBL6209290 0.84 KIF11 (0.52) KIF11KIF23SMN1; SMN2
SCHEMBL4859195 0.84 KIF11 (0.54) KIF11KIF23SMN1; SMN2
SCHEMBL5739696 0.84 KIF11 (0.55) KIF11KIF23SMN1; SMN2
SCHEMBL3957538 0.82 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3962257 0.82 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6206914 0.82 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4037366 0.81 KIF11 (0.88) KIF11

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