SCHEMBL5758568

SCHEMBL5758568

COc1cccc(Cn2c(C(C(C)C)N(CCCN)C(=O)c3ccc(C)cc3)nc(=O)c(C)c2C)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.58
MAP1LC3B Q9GZQ8 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.58
KIF23 Q02241 1/20 0.57
HTT P42858 1/20 0.45

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
SCHEMBL4359887 0.89 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5754476 0.89 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5752668 0.89 KIF11 (0.70) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4363070 0.83 KIF11 (0.65) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5754713 0.82 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1041436 0.81 KIF11 (0.66) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4501770 0.81 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5754219 0.81 KIF11 (0.66) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5755624 0.81 KIF11 (0.66) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4359320 0.81 KIF11 (0.68) 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 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