SCHEMBL82648

SCHEMBL82648

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(C#N)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.51
AR P10275 1/20 0.47
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
ABHD6 Q9BV23 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
ROCK2 O75116 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
EIF4A3 P38919 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL1674044 1.00 GPR119 (0.51) GPR119ARNR1H2NR1H3ABHD6
SCHEMBL21001077 0.85 GPR119 (0.52) GPR119ARNR1H2NR1H3EGLN2
SCHEMBL22772313 0.85 NR1H2 (0.47) GPR119NR1H2NR1H3ABHD6ROCK2
SCHEMBL83391 0.84 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2EIF4A3
SCHEMBL82171 0.84 NR1H2 (0.59) NR1H2NR1H3ABHD6ROCK2
SCHEMBL521801 0.84 NR1H2 (0.49) GPR119NR1H2NR1H3ABHD6ROCK2
SCHEMBL1673567 0.84 NR1H2 (0.59) NR1H2NR1H3ABHD6ROCK2
SCHEMBL1673737 0.84 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2EIF4A3
SCHEMBL83834 0.84 NR1H2 (0.59) NR1H2NR1H3ABHD6ROCK2
SCHEMBL31421008 0.84 GPR119 (0.51) GPR119ARALDH1A1

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-1805164-B9 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-07 EP disclosed
EP-1805164-B1 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-02-23 EP disclosed