SCHEMBL4056867

SCHEMBL4056867

O=C(O)N1CCC(COc2cnc(-c3ccc(C(=O)N4CCOC(CO)C4)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
ATR Q13535 2/20 0.40
GABRA5 P31644 2/20 0.38
SCN9A Q15858 1/20 0.37
ROCK2 O75116 1/20 0.37
PIK3CA P42336 1/20 0.36
JAK2 O60674 2/20 0.36
ATXN2 Q99700 2/20 0.35
CHEK2 O96017 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL13690766 0.88 GPR119 (0.56) ALOX5APFEN1GPR119CHEK2
SCHEMBL3982420 0.88 GPR119 (0.54) ALOX5APFEN1GPR119CHEK2MEN1
SCHEMBL4376173 0.85 ATR (0.48) ALOX5APFEN1GPR119ATRGABRA5
SCHEMBL4388608 0.84 ATR (0.42) GPR119ATRGABRA5ATXN2CHEK2
SCHEMBL4056100 0.84 TPH1 (0.44) ALOX5APFEN1ATRROCK2PIK3CA
SCHEMBL4048867 0.80 SPHK2 (0.44) GPR119ATRGABRA5ROCK2
SCHEMBL4049899 0.80 SPHK2 (0.44) GPR119ATRGABRA5ROCK2
SCHEMBL4059326 0.80 PARP15 (0.45) GPR119ATRCHEK2
SCHEMBL4053316 0.79 ATR (0.41) ALOX5APFEN1ATR
SCHEMBL4368582 0.78 ATR (0.39) GPR119ATRGABRA5JAK2CHEK2

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