SCHEMBL4058967

SCHEMBL4058967

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.65
KIF23 Q02241 1/20 0.65
MAP1LC3B Q9GZQ8 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE6D O43924 3/20 0.43

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
SCHEMBL4064589 0.96 KIF11 (0.62) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3872246 0.92 KIF11 (0.74) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4069371 0.91 KIF11 (0.66) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4059317 0.89 KIF11 (0.63) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4063001 0.88 KIF11 (0.72) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3870102 0.88 KIF11 (0.83) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3866641 0.88 KIF11 (0.83) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3866637 0.88 KIF11 (0.83) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3868942 0.87 KIF11 (0.72) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3869707 0.87 KIF11 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed