SCHEMBL13354870

SCHEMBL13354870

CNc1n[nH]c2cc(-c3cc(N4CC(NC(=O)OC(C)(C)C)CCC4C)nc(N)n3)ccc12

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.86
▸ AURKB Q96GD4 19/20 0.86
▸ AURKA O14965 13/20 0.86
▸ ROCK1 Q13464 8/20 0.57
▸ TGFBR1 P36897 2/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ PDK1 Q15118 1/20 0.54

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
SCHEMBL12119122 0.92 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119515 0.92 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354724 0.90 PDPK1 (0.69) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119541 0.88 PDPK1 (0.85) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119305 0.82 PDPK1 (0.80) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354853 0.81 PDPK1 (0.72) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966462 0.81 PDPK1 (0.79) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL3123947 0.81 PDPK1 (0.79) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966452 0.81 PDPK1 (0.79) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119190 0.79 PDPK1 (0.75) PDPK1AURKBAURKAROCK1TGFBR1

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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