Sugi Predict

Sugi Predict / Compounds / SCHEMBL4057702

SCHEMBL4057702

SCHEMBL4057702

CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2F)cn1)C1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 16/20 0.48
▸ FEN1 P39748 3/20 0.40
▸ ALOX5AP P20292 2/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 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
SCHEMBL13690359 0.91 GPR119 (0.48) GPR119FEN1ALOX5APKCNH2CYP3A4
SCHEMBL4057993 0.81 GPR119 (0.60) GPR119KCNH2
SCHEMBL13690362 0.79 GPR119 (0.41) GPR119
SCHEMBL13690343 0.75 GPR119 (0.43) GPR119FEN1ALOX5AP
SCHEMBL4543729 0.72 MCHR1 (0.43) GPR119KCNH2CYP3A4
SCHEMBL4053675 0.72 CYP2C19 (0.37) CYP3A4
SCHEMBL4543839 0.71 GPR119 (0.41) GPR119
SCHEMBL4053679 0.71 ADRA1D (0.34) GPR119CYP3A4
SCHEMBL4060086 0.69 RORC (0.46) GPR119
SCHEMBL4387698 0.68 RORC (0.47) 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 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 claimed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 — — WO disclosed