SCHEMBL5754455

SCHEMBL5754455

CC(C)CN(C[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KIF11 P52732 7/20 0.39
CYP3A4 P08684 2/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 2/20 0.38
SYK P43405 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
SCHEMBL4524963 0.83 MAPT (0.43) MAPTKIF11CYP3A4MAP1LC3BCYP2C19
SCHEMBL4515735 0.82 KIF11 (0.60) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754463 0.80 SYK (0.43) MAPTKIF11CYP3A4MAP1LC3BCYP2C19
SCHEMBL5756255 0.80 KIF11 (0.51) MAPTKIF11CYP3A4MAP1LC3BCYP2C19
SCHEMBL5754170 0.80 KIF11 (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL6792792 0.79 KIF11 (0.51) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4753092 0.78 KIF11 (0.45) MAPTKIF11
SCHEMBL6792797 0.77 KIF11 (0.47) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5650348 0.74 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5647214 0.74 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed