SCHEMBL13354875

SCHEMBL13354875

CNc1nc(-c2cc(F)c(N)c(OC)c2)cc(N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.52
▸ PDPK1 O15530 7/20 0.52
▸ AURKB Q96GD4 7/20 0.52
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ SUV39H2 Q9H5I1 10/20 0.37
▸ SYK P43405 2/20 0.36

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
SCHEMBL13354730 0.94 PDPK1 (0.56) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119841 0.89 AURKA (0.47) AURKAPDPK1AURKBEIF2AK4SUV39H2
SCHEMBL13354797 0.87 PDPK1 (0.60) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119837 0.86 PDPK1 (0.66) AURKAPDPK1AURKBEIF2AK4SUV39H2
SCHEMBL12119836 0.85 AURKA (0.51) AURKAPDPK1AURKBEIF2AK4SUV39H2
SCHEMBL13354794 0.84 AURKA (0.68) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119825 0.82 AURKA (0.58) AURKAPDPK1AURKBEIF2AK4SUV39H2
SCHEMBL12119839 0.81 AURKA (0.54) AURKAPDPK1AURKBEIF2AK4SUV39H2
SCHEMBL16966467 0.78 AURKA (0.36) AURKAPDPK1AURKB
SCHEMBL12119831 0.78 AURKA (0.51) AURKAPDPK1AURKBEIF2AK4SUV39H2

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
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
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