SCHEMBL4052001

SCHEMBL4052001

CC(=O)Nc1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)OC(C)C)CC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.42
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
ATR Q13535 2/20 0.37
PIK3CG P48736 1/20 0.37
GSK3B P49841 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4048220 0.92 GPR119 (0.44) GPR119CLK2CLK3DYRK1APIK3CA
SCHEMBL13690502 0.87 GPR119 (0.41) GPR119CLK2CLK3DYRK1A
SCHEMBL4053026 0.86 GPR119 (0.50) GPR119CLK2CLK3DYRK1AGSK3B
SCHEMBL13690516 0.86 GPR119 (0.60) GPR119
SCHEMBL13690488 0.85 GPR119 (0.53) GPR119
SCHEMBL13690402 0.83 GPR119 (0.46) GPR119CLK2CLK3DYRK1APIK3CA
SCHEMBL13690619 0.80 ATR (0.41) ATR
SCHEMBL4058199 0.80 GPR119 (0.51) GPR119
SCHEMBL4050817 0.80 GPR119 (0.40) GPR119MCHR1
SCHEMBL4048254 0.79 GPR119 (0.46) GPR119

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed