SCHEMBL13354794

SCHEMBL13354794

C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc(-c3cc(F)c(N)c(F)c3)nc(N)n2)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.68
▸ PDPK1 O15530 8/20 0.68
▸ AURKB Q96GD4 8/20 0.68
▸ EIF2AK4 Q9P2K8 1/20 0.43
▸ SYK P43405 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ BTK Q06187 2/20 0.37
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL12119823 0.91 AURKA (0.63) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL13354730 0.91 PDPK1 (0.56) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119819 0.87 AURKA (0.67) AURKAPDPK1AURKBEIF2AK4
SCHEMBL12119825 0.86 AURKA (0.58) AURKAPDPK1AURKBEIF2AK4BTK
SCHEMBL13354875 0.84 AURKA (0.52) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119818 0.83 AURKA (0.63) AURKAPDPK1AURKBEIF2AK4MAP4K4
SCHEMBL13354797 0.81 PDPK1 (0.60) AURKAPDPK1AURKBEIF2AK4SYK
SCHEMBL12119828 0.81 PDPK1 (0.78) AURKAPDPK1AURKBEIF2AK4BTK
SCHEMBL12119820 0.81 PDPK1 (1.00) AURKAPDPK1AURKB
SCHEMBL12119836 0.80 AURKA (0.51) AURKAPDPK1AURKBEIF2AK4SYK

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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