SCHEMBL5756930

SCHEMBL5756930

Cc1ccc(C(=O)N(CCCN)CC(C)Cc2cc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.63
KCNH2 Q12809 2/20 0.58
MAP1LC3B Q9GZQ8 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KIF23 Q02241 1/20 0.44

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
SCHEMBL4628256 0.80 KIF11 (0.49) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753590 0.80 KIF11 (0.76) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4364319 0.79 KIF11 (0.58) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5751482 0.78 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5755084 0.77 PTGS1 (0.49) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4366741 0.76 KIF11 (0.54) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4628178 0.76 KIF11 (0.52) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5604903 0.76 KIF11 (0.67) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5603713 0.76 KIF11 (0.64) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4629024 0.76 KIF11 (0.49) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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-1556357-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
EP-1556357-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-27 EP disclosed
WO-2003106426-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-24 WO disclosed