SCHEMBL13865440

SCHEMBL13865440

Cc1ccc(-c2nc(CN(CC(=O)O)CC(=O)O)cn2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 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
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE6D O43924 3/20 0.40
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL5806031 0.90 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4516475 0.90 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13865437 0.88 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4508181 0.88 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4514513 0.88 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13865434 0.88 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4511026 0.87 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5411473 0.87 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4507515 0.86 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4522499 0.86 KIF11 (0.49) 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
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US disclosed
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 US disclosed