SCHEMBL13354730

SCHEMBL13354730

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 8/20 0.56
▸ AURKB Q96GD4 8/20 0.56
▸ AURKA O14965 7/20 0.56
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ SYK P43405 2/20 0.39
▸ MAP4K4 O95819 2/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL13354875 0.94 AURKA (0.52) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL13354797 0.91 PDPK1 (0.60) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL13354794 0.91 AURKA (0.68) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119836 0.89 AURKA (0.51) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119839 0.86 AURKA (0.54) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119841 0.85 AURKA (0.47) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119837 0.82 PDPK1 (0.66) PDPK1AURKBAURKAEIF2AK4BTK
SCHEMBL12119831 0.82 AURKA (0.51) PDPK1AURKBAURKAEIF2AK4MAP4K4
SCHEMBL12119838 0.82 PDPK1 (0.84) PDPK1AURKBAURKA
SCHEMBL12119823 0.82 AURKA (0.63) PDPK1AURKBAURKAEIF2AK4SYK

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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