SCHEMBL4500050

SCHEMBL4500050

CC(C)C(c1nn(-c2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.52
MAP1LC3B Q9GZQ8 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.52
KIF23 Q02241 1/20 0.51
HTT P42858 1/20 0.43

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
SCHEMBL4493304 0.93 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4484748 0.90 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4490308 0.88 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4497720 0.87 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4494007 0.86 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4489527 0.86 KIF11 (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4502134 0.85 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4487063 0.85 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4508702 0.85 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4501628 0.84 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