SCHEMBL5807002

SCHEMBL5807002

CCC(CC)C(c1nc2c(c(=O)n1Cc1ccccc1)C=CN(Cl)C2)n1cc(CCN)nc1-c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 18/20 0.34
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5110002 0.79 KIF11 (0.42) ALDH1A1MEN1KMT2AKIF11
SCHEMBL4373915 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKIF11GAA
SCHEMBL4507515 0.71 KIF11 (0.55) ALDH1A1MEN1KMT2AKIF11
SCHEMBL5110435 0.69 LMNA (0.38) ALDH1A1MEN1KMT2AKIF11GAA
SCHEMBL4523593 0.67 KIF11 (0.57) ALDH1A1MEN1KMT2AKIF11
SCHEMBL4375027 0.65 LMNA (0.43) ALDH1A1MEN1KMT2AKIF11HPGD
SCHEMBL4514513 0.65 KIF11 (0.54) ALDH1A1MEN1KMT2AKIF11
SCHEMBL13865434 0.65 KIF11 (0.54) ALDH1A1MEN1KMT2AKIF11
SCHEMBL4516475 0.62 KIF11 (0.53) ALDH1A1MEN1KMT2AKIF11
SCHEMBL5806031 0.62 KIF11 (0.53) ALDH1A1MEN1KMT2AKIF11

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-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 EP disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 WO disclosed