SCHEMBL5754401

SCHEMBL5754401

CCNC(=O)c1c(C)nc([C@@](C)(CC)N(CCCN)C(=O)c2ccccc2C)n(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.44
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KIF23 Q02241 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL4367361 0.89 KIF11 (0.46) KIF11KIF23
SCHEMBL6795609 0.80 KIF11 (0.48) KIF11KIF23
SCHEMBL4364755 0.70 KIF11 (0.68) KIF11KIF23
SCHEMBL4367358 0.69 KIF11 (0.51) KIF11KIF23
Hydrochloric Acid SCHEMBL4359898 0.69 KIF11 (0.44) KIF11
SCHEMBL4376315 0.69 KIF11 (0.53) KIF11BRD4MEN1KMT2AKIF23
SCHEMBL5525132 0.69 KIF11 (0.68) KIF11
SCHEMBL4375118 0.65 KIF11 (0.68) KIF11KIF23
SCHEMBL4362694 0.64 KIF11 (0.68) KIF11KIF23
SCHEMBL1887243 0.63 KIF11 (0.51) KIF11PTGES

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