SCHEMBL16966455

SCHEMBL16966455

CNc1nc(-c2cc(OC)c3c(N)n[nH]c3c2)cc(N2CCC[C@@H](NC(=O)O)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 18/20 0.52
▸ AURKB Q96GD4 17/20 0.52
▸ AURKA O14965 13/20 0.52
▸ ROCK1 Q13464 7/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ BTK Q06187 2/20 0.40

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
SCHEMBL12119799 0.90 PDPK1 (0.66) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL3132798 0.87 PDPK1 (0.52) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966483 0.86 PDPK1 (0.68) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317910 0.84 PDPK1 (0.48) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318103 0.80 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318241 0.80 PDPK1 (0.52) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318005 0.78 PDPK1 (0.83) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL3127259 0.78 PDPK1 (0.62) PDPK1AURKBAURKAROCK1
SCHEMBL12119837 0.78 PDPK1 (0.66) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318829 0.78 PDPK1 (0.41) 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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