SCHEMBL5037663

SCHEMBL5037663

Cc1ccc(C(=O)N(CCCN)CC(C)CCCc2nc3ccncc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.58
MAP1LC3B Q9GZQ8 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
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
SCHEMBL5039407 0.85 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5037659 0.84 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5037957 0.81 KIF11 (0.62) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5037656 0.78 KIF11 (0.65) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5113413 0.78 KIF11 (0.76) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5113407 0.78 KIF11 (0.76) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5751482 0.77 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL6110928 0.77 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL6110495 0.77 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5486903 0.77 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680420-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
JP-2007510660-A 2007-04-26 JP claimed
EP-1680420-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-19 EP claimed
WO-2005046588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-05-26 WO claimed