SCHEMBL4047813

SCHEMBL4047813

CCCNC(=O)c1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)OC(C)C)CC3)cn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.52
MAPK1 P28482 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL4049265 0.93 GPR119 (0.52) GPR119MAPK1
SCHEMBL4058199 0.88 GPR119 (0.51) GPR119
SCHEMBL4055733 0.81 IKBKB (0.41) GPR119MAPK1
SCHEMBL4050577 0.80 IKBKB (0.39) GPR119MAPK1
SCHEMBL4057221 0.80 GPR119 (0.53) GPR119
SCHEMBL4053026 0.79 GPR119 (0.50) GPR119CLK2CLK3DYRK1A
SCHEMBL4052001 0.78 GPR119 (0.42) GPR119CLK2CLK3DYRK1A
SCHEMBL13690516 0.77 GPR119 (0.60) GPR119
SCHEMBL4048220 0.77 GPR119 (0.44) GPR119CLK2CLK3DYRK1A
SCHEMBL13690488 0.77 GPR119 (0.53) 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 3 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 claimed
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