SCHEMBL2103608

SCHEMBL2103608

CC(C)Oc1ccc(C(=O)NC(CNC(=O)CO)Cc2ccc(-c3cn(CCN)c(C(C)(C)C)n3)cc2)cc1Cl.CCC(O)c1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.62
KIFC1 Q9BW19 1/20 0.33
S1PR1 P21453 1/20 0.30

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
SCHEMBL2101553 0.87 CENPE (0.68) CENPEKIFC1S1PR1
SCHEMBL3462238 0.87 CENPE (0.68) CENPEKIFC1S1PR1
SCHEMBL13161850 0.87 CENPE (0.56) CENPEKIFC1S1PR1
SCHEMBL3462261 0.87 CENPE (0.56) CENPEKIFC1S1PR1
SCHEMBL2105447 0.84 CENPE (0.86) CENPEKIFC1S1PR1
SCHEMBL3461806 0.84 CENPE (0.86) CENPEKIFC1S1PR1
SCHEMBL2101559 0.81 CENPE (0.69) CENPEKIFC1S1PR1
SCHEMBL4428105 0.81 CENPE (0.77) CENPEKIFC1S1PR1
SCHEMBL2103186 0.81 CENPE (0.77) CENPEKIFC1S1PR1
SCHEMBL3213358 0.81 CENPE (0.77) CENPEKIFC1S1PR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed