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SCHEMBL2105088

SCHEMBL2105088

CC(=O)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2F)cn1C.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)nc1C(C)(C)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.51
▸ DHODH Q02127 2/20 0.34
▸ KIFC1 Q9BW19 1/20 0.33
▸ S1PR1 P21453 10/20 0.33
▸ S1PR3 Q99500 3/20 0.32
▸ S1PR5 Q9H228 4/20 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
SCHEMBL2105946 0.87 CENPE (0.49) CENPEDHODHKIFC1S1PR1S1PR3
SCHEMBL3462063 0.87 CENPE (0.42) CENPEDHODHKIFC1S1PR1
SCHEMBL13161477 0.87 CENPE (0.42) CENPEDHODHKIFC1S1PR1
SCHEMBL13625011 0.86 CENPE (0.57) CENPES1PR1S1PR3S1PR5
SCHEMBL3462471 0.86 CENPE (0.57) CENPES1PR1S1PR3S1PR5
SCHEMBL13161518 0.86 CENPE (0.57) CENPES1PR1S1PR3S1PR5
SCHEMBL3463009 0.85 CENPE (0.67) CENPES1PR1S1PR3S1PR5
SCHEMBL2104692 0.85 CENPE (0.55) CENPEDHODHS1PR1S1PR3S1PR5
SCHEMBL3461137 0.84 CENPE (0.44) CENPEDHODHKIFC1S1PR1
SCHEMBL13161592 0.84 CENPE (0.44) CENPEDHODHKIFC1S1PR1

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