SCHEMBL16966469

SCHEMBL16966469

CC1CCC(N(C(=O)O)C(C)(C)C)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.65
▸ AURKB Q96GD4 20/20 0.65
▸ AURKA O14965 15/20 0.65
▸ ROCK1 Q13464 10/20 0.64
▸ TGFBR1 P36897 2/20 0.64
▸ PIK3CG P48736 1/20 0.52
▸ PDK1 Q15118 1/20 0.52

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
SCHEMBL1317949 1.00 PDPK1 (0.65) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966471 1.00 PDPK1 (0.65) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317753 0.91 PDPK1 (0.67) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1319737 0.87 PDPK1 (0.66) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1316994 0.87 PDPK1 (0.66) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1316990 0.87 PDPK1 (0.66) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317438 0.85 PDPK1 (0.65) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318807 0.85 PDPK1 (0.65) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318924 0.85 PDPK1 (0.66) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317770 0.84 PDPK1 (0.74) PDPK1AURKBAURKAROCK1

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
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP claimed
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