SCHEMBL20429116

SCHEMBL20429116

CNC(=O)c1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(C)=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 18/20 0.51
▸ PDK2 Q15119 18/20 0.51
▸ PDK3 Q15120 18/20 0.51
▸ PDK4 Q16654 18/20 0.51
▸ BAZ2B Q9UIF8 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL18871982 0.89 PDK1 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL18871979 0.88 PDK1 (0.51) PDK1PDK2PDK3PDK4
SCHEMBL18871843 0.88 PDK1 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL18871781 0.87 PDK1 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL18871762 0.83 PDK1 (0.49) PDK1PDK2PDK3PDK4
SCHEMBL18871839 0.82 HRH3 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL26071914 0.77 CYP11B1 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL14756207 0.76 PDK1 (0.54) PDK1PDK2PDK3PDK4
SCHEMBL26071793 0.76 PDK1 (0.54) PDK1PDK2PDK3PDK4
SCHEMBL20288532 0.75 PDK1 (0.46) PDK1PDK2PDK3PDK4

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-3168213-B1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2018-08-01 — — EP disclosed
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