SCHEMBL4505256

SCHEMBL4505256

Cc1ccccc1C(=O)N(CCN)C(c1nn(-c2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.44
MAP1LC3B Q9GZQ8 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
KIF23 Q02241 1/20 0.40
ROCK2 O75116 1/20 0.37
DHODH Q02127 1/20 0.37
HTT P42858 1/20 0.35
EEF2K O00418 1/20 0.34

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
SCHEMBL4484748 0.84 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4493304 0.84 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4498257 0.84 KIF11 (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4500235 0.83 GHSR (0.35) KIF11ROCK2EEF2K
SCHEMBL4500050 0.82 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4500793 0.82 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4502944 0.81 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4511153 0.81 KIF11 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4490308 0.81 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4501628 0.79 KIF11 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 US claimed