SCHEMBL16966499

SCHEMBL16966499

CNc1nc(-c2cc(OC)c3c(N)n[nH]c3c2)cc(N2CCC[CH]C2C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 19/20 0.39
▸ AURKB Q96GD4 14/20 0.39
▸ AURKA O14965 10/20 0.39
▸ ROCK1 Q13464 5/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ TGFBR1 P36897 1/20 0.37
▸ CDC7 O00311 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL16966488 0.86 PDPK1 (0.43) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966490 0.84 PDPK1 (0.53) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318241 0.84 PDPK1 (0.52) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318829 0.83 PDPK1 (0.41) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318103 0.82 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317180 0.79 PDPK1 (0.56) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318982 0.77 PDPK1 (0.59) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317910 0.77 PDPK1 (0.48) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1320558 0.77 PDPK1 (0.58) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319651 0.75 PDPK1 (0.47) 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 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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