SCHEMBL2491776

SCHEMBL2491776

CN(c1nc(-c2ccncc2F)cc(=O)n1C)C1C2CN(C(=O)OC(C)(C)C)C[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.46
GSK3B P49841 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.38
NAMPT P43490 2/20 0.34
DYRK1A Q13627 1/20 0.34
LATS1 O95835 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL3743598 1.00 GPR119 (0.46) GPR119GSK3BCYP1A2CYP2D6GPBAR1
SCHEMBL3743594 1.00 GPR119 (0.46) GPR119GSK3BCYP1A2CYP2D6GPBAR1
SCHEMBL2491778 1.00 GPR119 (0.46) GPR119GSK3BCYP1A2CYP2D6GPBAR1
SCHEMBL2485633 0.89 GSK3B (0.43) GPR119GSK3BCYP1A2CYP2D6LATS1
SCHEMBL2485638 0.89 GSK3B (0.43) GPR119GSK3BCYP1A2CYP2D6LATS1
SCHEMBL2485634 0.89 GSK3B (0.43) GPR119GSK3BCYP1A2CYP2D6LATS1
SCHEMBL2488014 0.86 GSK3B (0.41) GPR119GSK3BCYP1A2CYP2D6LATS1
SCHEMBL2488012 0.86 GSK3B (0.41) GPR119GSK3BCYP1A2CYP2D6LATS1
SCHEMBL2488013 0.86 GSK3B (0.41) GPR119GSK3BCYP1A2CYP2D6LATS1
SCHEMBL2490497 0.85 GSK3B (0.43) GPR119GSK3BCYP1A2CYP2D6LATS1

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-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed