SCHEMBL16966447

SCHEMBL16966447

CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@H](NC(=O)O)CC[C@@H]2C)n1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.75
▸ AURKB Q96GD4 20/20 0.75
▸ AURKA O14965 13/20 0.75
▸ ROCK1 Q13464 9/20 0.75
▸ PIK3CG P48736 1/20 0.75
▸ PDK1 Q15118 1/20 0.75
▸ TGFBR1 P36897 2/20 0.59

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
SCHEMBL3123947 0.91 PDPK1 (0.79) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966462 0.91 PDPK1 (0.79) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966452 0.91 PDPK1 (0.79) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL12119541 0.89 PDPK1 (0.85) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966483 0.86 PDPK1 (0.68) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL29410282 0.86 PDPK1 (1.00) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317022 0.86 PDPK1 (1.00) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL3134306 0.84 PDPK1 (0.66) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317753 0.84 PDPK1 (0.67) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1316853 0.84 PDPK1 (1.00) PDPK1AURKBAURKAROCK1PIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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