SCHEMBL6207965

SCHEMBL6207965

Cc1ccc(C(=O)N(CCCN)CCCc2nc3onc(C)c3c(=O)n2Cc2ccccc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.56
KIF23 Q02241 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
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
SCHEMBL6206668 0.93 KIF11 (0.59) KIF11KIF23SMN1; SMN2MAP1LC3BCYP3A4
SCHEMBL3961772 0.91 KIF11 (0.67) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6206914 0.89 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6209044 0.88 KIF11 (0.57) KIF11KIF23
SCHEMBL3960546 0.84 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6209290 0.84 KIF11 (0.52) KIF11KIF23SMN1; SMN2
SCHEMBL6208336 0.83 KIF11 (0.48) KIF11KIF23SMN1; SMN2MAP1LC3BCYP3A4
SCHEMBL4859195 0.82 KIF11 (0.54) KIF11KIF23SMN1; SMN2
SCHEMBL5739696 0.82 KIF11 (0.55) KIF11KIF23SMN1; SMN2
SCHEMBL4039730 0.82 KIF11 (0.70) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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-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