SCHEMBL4368933

SCHEMBL4368933

CC(=O)NCNC(=O)c1c(C)nc(C(C(C)C)N(CCCN)C(=O)c2ccc(C)cc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.66
KIF23 Q02241 1/20 0.66
MAP1LC3B Q9GZQ8 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL4362694 0.92 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4375118 0.92 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4364755 0.92 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4361568 0.90 KIF11 (0.70) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4371805 0.90 KIF11 (0.66) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4363688 0.89 KIF11 (0.73) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4368870 0.89 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5392779 0.88 KIF11 (0.74) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5396009 0.88 KIF11 (0.73) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL13956818 0.87 KIF11 (0.68) 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
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed