SCHEMBL5752799

SCHEMBL5752799

COc1ccc(C(=O)N(CCCN)C(c2nc(=O)c(C)c(C#N)n2Cc2ccccc2)C(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.55
KIF23 Q02241 1/20 0.55
MAP1LC3B Q9GZQ8 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KCNH2 Q12809 1/20 0.54
HTT P42858 1/20 0.42

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
SCHEMBL5755136 0.92 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4366839 0.89 KIF11 (0.60) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4374528 0.89 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5752860 0.88 KIF11 (0.66) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753733 0.87 KIF11 (0.60) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5757022 0.87 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5754666 0.87 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5755793 0.86 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5401219 0.86 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753643 0.85 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 WO disclosed