SCHEMBL17655339

SCHEMBL17655339

Cc1cc(OCC(O)CO)nc(NC(=O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.39
▸ RAF1 P04049 12/20 0.39
▸ GPR142 Q7Z601 1/20 0.35
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ BRAF P15056 5/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL12805953 0.87 FGFR4 (0.45) FGFR4RAF1GPR142PRMT5WDR77
SCHEMBL12959030 0.87 FGFR4 (0.45) FGFR4RAF1GPR142PRMT5WDR77
SCHEMBL12805950 0.87 FGFR4 (0.45) FGFR4RAF1GPR142PRMT5WDR77
SCHEMBL17655329 0.87 FGFR4 (0.39) FGFR4RAF1PRMT5WDR77CA2
SCHEMBL12653830 0.85 RAF1 (0.35) RAF1PRMT5WDR77BRAFCA2
SCHEMBL12654420 0.85 RAF1 (0.35) RAF1PRMT5WDR77CA2CA9
SCHEMBL12653828 0.85 FGFR4 (0.45) FGFR4RAF1GPR142PRMT5WDR77
SCHEMBL12653807 0.85 RAF1 (0.36) FGFR4RAF1CNR2
SCHEMBL16785536 0.85 RAF1 (0.36) RAF1PRMT5WDR77CA2CA9
SCHEMBL17655352 0.83 FGFR4 (0.43) FGFR4RAF1GPR142CDK2GSK3B

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 3 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
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