SCHEMBL12653773

SCHEMBL12653773

O=C(Nc1cccc(OCC(O)CO)n1)N1CCOc2ncc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.38
▸ RAF1 P04049 9/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.36
▸ BRAF P15056 3/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ADAM17 P78536 1/20 0.33

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
SCHEMBL12959030 0.90 FGFR4 (0.45) FGFR4RAF1GPR52FAAHKIF18A
SCHEMBL12805950 0.90 FGFR4 (0.45) FGFR4RAF1GPR52FAAHKIF18A
SCHEMBL12805953 0.90 FGFR4 (0.45) FGFR4RAF1GPR52FAAHKIF18A
SCHEMBL17655353 0.88 RAF1 (0.39) FGFR4RAF1GPR52BRAFCA2
SCHEMBL17655444 0.86 FGFR4 (0.42) FGFR4RAF1GPR52BRAFKIF18A
SCHEMBL12653828 0.83 FGFR4 (0.45) FGFR4RAF1GPR52BRAFPRMT5
SCHEMBL18415686 0.83 FGFR4 (0.44) FGFR4GPR52PRMT5WDR77
SCHEMBL17655393 0.82 GPR52 (0.37) FGFR4RAF1GPR52FAAHKIF18A
SCHEMBL18415693 0.82 RAF1 (0.37) RAF1GPR52PRMT5WDR77CA2
SCHEMBL19365868 0.81 GPR52 (0.38) FGFR4RAF1GPR52KIF18APRMT5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
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