SCHEMBL4586389

SCHEMBL4586389

Cc1ccc(C(=O)N(CCCN)CC(C)CC2=NC3(CC3)C(=O)N2Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.45
KIF23 Q02241 1/20 0.41
MAP1LC3B Q9GZQ8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4965354 0.81 KIF11 (0.44) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4965053 0.80 KIF11 (0.43) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4586381 0.79 MAP1LC3B (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4628256 0.76 KIF11 (0.49) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5751482 0.76 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5756046 0.75 KIF11 (0.52) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4628178 0.75 KIF11 (0.52) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4629024 0.75 KIF11 (0.49) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4366741 0.74 KIF11 (0.54) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4629075 0.73 KIF11 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-09 EP claimed
EP-1622878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-02-08 EP claimed
WO-2004103282-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-12-02 WO claimed
EP-1622878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-09 EP disclosed
EP-1622878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-02-08 EP disclosed
WO-2004103282-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-12-02 WO disclosed