SCHEMBL4376355

SCHEMBL4376355

CCC(CC)C(=O)N1CCC(N(C)Cc2cnc(-c3ccc(C(N)=O)c(F)c3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
GPR119 Q8TDV5 3/20 0.38
PIK3CA P42336 4/20 0.37
MTOR P42345 4/20 0.37
MET P08581 2/20 0.37
MAPK1 P28482 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
SCHEMBL4050577 0.88 IKBKB (0.39) ATRALOX5APFEN1GPR119PIK3CA
SCHEMBL4373924 0.86 GPR119 (0.38) ATRGPR119
SCHEMBL4057221 0.86 GPR119 (0.53) ATRGPR119
SCHEMBL13690548 0.82 JAK2 (0.44) ATR
SCHEMBL13690517 0.79 MCHR1 (0.40) ATRGPR119
SCHEMBL4058199 0.78 GPR119 (0.51) GPR119
SCHEMBL4055733 0.78 IKBKB (0.41) ATRGPR119PIK3CAMTORMAPK1
SCHEMBL4049265 0.76 GPR119 (0.52) GPR119MAPK1
SCHEMBL4370438 0.76 ATR (0.44) ATRPIK3CAMTOR
SCHEMBL13690325 0.75 FAAH (0.33)

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