SCHEMBL5396804

SCHEMBL5396804

CCC(NC(=O)OC(C)(C)C)N(OCc1ccc(C)cc1)C(c1nc(C)c(CNC(C)=O)c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.40
KIF23 Q02241 1/20 0.37
CYP3A4 P08684 2/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
SYK P43405 1/20 0.34
CTSS P25774 1/20 0.33
NTSR1 P30989 1/20 0.32
GAA P10253 1/20 0.32
PPARA Q07869 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CTRB1 P17538 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4363020 0.87 KIF11 (0.46) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL13956817 0.78 KIF11 (0.59) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL4367300 0.74 KIF11 (0.46) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL4363019 0.73 KIF11 (0.45) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL13956818 0.71 KIF11 (0.68) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
Hydrochloric Acid SCHEMBL4371126 0.70 KIF11 (0.68) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL13971404 0.70 KIF11 (0.57) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL13956803 0.67 P2RX7 (0.42) KIF11CYP3A4CTSSPPARASCN9A
SCHEMBL13956801 0.67 KIF11 (0.64) KIF11KIF23CYP3A4MAP1LC3BCYP2C19
SCHEMBL13956808 0.66 KIF11 (0.61) KIF11KIF23CYP3A4MAP1LC3BCYP2C19

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-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed