SCHEMBL17655352

SCHEMBL17655352

O=C(Nc1ccnc(OCC(O)CO)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.43
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GPR142 Q7Z601 2/20 0.37
▸ KMO O15229 1/20 0.36
▸ RAF1 P04049 3/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ SCN9A Q15858 6/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ SCN5A Q14524 3/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ BRAF P15056 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
SCHEMBL18415689 1.00 FGFR4 (0.43) FGFR4CA2CA9GPR142KMO
SCHEMBL18415688 1.00 FGFR4 (0.43) FGFR4CA2CA9GPR142KMO
SCHEMBL12805950 0.90 FGFR4 (0.45) FGFR4CA2CA9GPR142RAF1
SCHEMBL12959030 0.90 FGFR4 (0.45) FGFR4CA2CA9GPR142RAF1
SCHEMBL12805953 0.90 FGFR4 (0.45) FGFR4CA2CA9GPR142RAF1
SCHEMBL12653828 0.88 FGFR4 (0.45) FGFR4CA2CA9GPR142KMO
SCHEMBL12654665 0.88 PRMT5 (0.39) FGFR4CA2CA9KMOPRMT5
SCHEMBL17655335 0.86 FGFR4 (0.43) FGFR4CA2CA9KMOPRMT5
SCHEMBL12654418 0.85 CA2 (0.37) FGFR4CA2CA9KMORAF1
SCHEMBL12654671 0.85 GPR142 (0.33) FGFR4GPR142KMORAF1PRMT5

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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