SCHEMBL4053994

SCHEMBL4053994

CS(=O)(=O)c1ccc(-c2cnc(COC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.42
RORC P51449 1/20 0.40
PIK3CD O00329 1/20 0.40
JAK3 P52333 1/20 0.39
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
ATR Q13535 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
SCHEMBL3983250 0.88 GPR119 (0.41) GPR119PIK3CDJAK3
SCHEMBL13690547 0.88 GPR119 (0.57) GPR119
SCHEMBL4059095 0.87 SMN1; SMN2 (0.45) GPR119RORC
SCHEMBL4051113 0.86 GPR119 (0.60) GPR119RORC
SCHEMBL3988442 0.86 GPR119 (0.44) GPR119PIK3CDJAK3PIK3CAMTOR
SCHEMBL4048433 0.82 RORC (0.41) RORCATR
SCHEMBL4060086 0.81 RORC (0.46) GPR119RORCPIK3CAMTORCPT2
SCHEMBL4055470 0.78 GPR119 (0.45) GPR119
SCHEMBL14141852 0.76 GPR119 (0.48) GPR119
SCHEMBL14218068 0.76 AOC2 (0.43) GPR119PIK3CD

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