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SCHEMBL2103493

SCHEMBL2103493

CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)NC(C)=O.Cc1ccc(Br)c2nc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)cn12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.56
▸ S1PR1 P21453 6/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ S1PR5 Q9H228 3/20 0.34
▸ KIFC1 Q9BW19 1/20 0.33
▸ RORC P51449 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
SCHEMBL2103495 0.91 CENPE (0.50) CENPES1PR1S1PR3S1PR5
SCHEMBL14873567 0.85 CENPE (0.45) CENPES1PR1KIFC1RORC
SCHEMBL368370 0.85 CENPE (0.45) CENPES1PR1KIFC1RORC
SCHEMBL4441927 0.85 CENPE (0.45) CENPES1PR1KIFC1RORC
SCHEMBL4441924 0.85 CENPE (0.45) CENPES1PR1KIFC1RORC
SCHEMBL13161460 0.85 CENPE (0.45) CENPES1PR1KIFC1RORC
SCHEMBL3224699 0.85 CENPE (0.45) CENPES1PR1KIFC1RORC
SCHEMBL3462679 0.85 CENPE (0.74) CENPES1PR1S1PR3S1PR5
SCHEMBL13161433 0.85 CENPE (0.74) CENPES1PR1S1PR3S1PR5
SCHEMBL3463043 0.83 CENPE (0.52) CENPES1PR1S1PR3S1PR5KIFC1

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