SCHEMBL4048220

SCHEMBL4048220

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.44
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
MCHR1 Q99705 1/20 0.37
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
ATR Q13535 2/20 0.37
PIK3CG P48736 2/20 0.37
GSK3B P49841 1/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 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
SCHEMBL4052001 0.92 GPR119 (0.42) GPR119CLK2CLK3DYRK1AMCHR1
SCHEMBL13690402 0.91 GPR119 (0.46) GPR119CLK2CLK3DYRK1AMCHR1
SCHEMBL13690502 0.86 GPR119 (0.41) GPR119CLK2CLK3DYRK1A
SCHEMBL13690775 0.86 NAMPT (0.40) GPR119MCHR1MTORATR
SCHEMBL4053026 0.85 GPR119 (0.50) GPR119CLK2CLK3DYRK1AGSK3B
SCHEMBL13690516 0.85 GPR119 (0.60) GPR119
SCHEMBL13690785 0.84 ATR (0.48) MCHR1PIK3CAMTORATRPIK3CG
SCHEMBL13690488 0.84 GPR119 (0.53) GPR119
SCHEMBL13690604 0.82 RXFP1 (0.41) MCHR1
SCHEMBL13690494 0.81 TSHR (0.41) ATR

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