SCHEMBL4059326

SCHEMBL4059326

NC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.45
PARP10 Q53GL7 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
CHEK2 O96017 4/20 0.42
GPR119 Q8TDV5 3/20 0.41
ACHE P22303 2/20 0.39
MTOR P42345 1/20 0.39
HPGD P15428 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
ATR Q13535 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LIPE Q05469 1/20 0.38

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
SCHEMBL4056447 0.86 GPR119 (0.43) GPR119ACHEMTORATRLIPE
SCHEMBL13690558 0.86 GPR119 (0.58) CHEK2GPR119
SCHEMBL4388608 0.85 ATR (0.42) CHEK2GPR119ACHEATR
SCHEMBL4376173 0.85 ATR (0.48) CHEK2GPR119ACHEATR
SCHEMBL4048278 0.83 LIPE (0.38) GPR119ACHELIPE
SCHEMBL4055470 0.83 GPR119 (0.45) GPR119
SCHEMBL4048867 0.81 SPHK2 (0.44) GPR119ATR
SCHEMBL4049899 0.81 SPHK2 (0.44) GPR119ATR
SCHEMBL4456659 0.81 PARP15 (0.48) PARP15PARP10PARP2CHEK2GPR119
SCHEMBL4368582 0.81 ATR (0.39) CHEK2GPR119ACHEATRLIPE

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