SCHEMBL5757022

SCHEMBL5757022

Cc1c(C#N)n(Cc2ccccc2)c(C(C(C)C)N(CCCN)C(=O)c2cccc(C#N)c2)nc1=O

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
KCNH2 Q12809 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
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
SCHEMBL5753733 0.92 KIF11 (0.60) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL5755793 0.92 KIF11 (0.56) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL5753686 0.92 KIF11 (0.56) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL5752860 0.89 KIF11 (0.66) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL4361212 0.88 KIF11 (0.60) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL4374984 0.88 KIF11 (0.58) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL3495119 0.87 KIF11 (0.56) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL5754666 0.87 KIF11 (0.58) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL3495116 0.87 KIF11 (0.56) KIF11KIF23MAP1LC3BKCNH2CYP3A4
SCHEMBL5752799 0.87 KIF11 (0.55) KIF11KIF23MAP1LC3BKCNH2CYP3A4

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