SCHEMBL4467253

SCHEMBL4467253

Cc1nn(C2CCN(C(=O)O)CC2)c2ncnc(Oc3ccc(S(C)(=O)=O)cc3)c12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
GPR119 Q8TDV5 6/20 0.49
BTK Q06187 11/20 0.42
EGFR P00533 2/20 0.42
PIK3CD O00329 1/20 0.41
LCK P06239 1/20 0.41
ITK Q08881 1/20 0.41
NUDT14 O95848 1/20 0.39
NUDT5 Q9UKK9 1/20 0.39

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
SCHEMBL1128439 0.89 GPR119 (0.56) CYP3A4GPR119
SCHEMBL1128995 0.85 CYP3A4 (0.48) CYP3A4GPR119BTKLCKNUDT14
SCHEMBL2019784 0.82 CYP3A4 (0.79) CYP3A4GPR119
SCHEMBL27755048 0.77 GPR119 (0.58) CYP3A4GPR119PIK3CD
SCHEMBL9006352 0.75 CYP3A4 (0.79) CYP3A4GPR119
SCHEMBL1128844 0.74 CYP3A4 (0.84) CYP3A4GPR119
SCHEMBL1128328 0.74 CYP3A4 (0.80) CYP3A4GPR119
SCHEMBL2022044 0.74 CYP3A4 (0.57) CYP3A4GPR119PIK3CD
SCHEMBL1450363 0.73 CYP3A4 (0.47) CYP3A4GPR119BTK
SCHEMBL1128434 0.73 CYP3A4 (0.73) CYP3A4GPR119

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-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed