SCHEMBL17655329

SCHEMBL17655329

Cc1cc(OCC(O)CO)nc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 13/20 0.39
▸ RAF1 P04049 4/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TRPV3 Q8NET8 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
SCHEMBL16785536 0.88 RAF1 (0.36) RAF1PRMT5WDR77CA2CA9
SCHEMBL12654420 0.88 RAF1 (0.35) RAF1PRMT5WDR77CA2CA9
SCHEMBL12653830 0.88 RAF1 (0.35) RAF1PRMT5WDR77CA2CA9
SCHEMBL18415686 0.87 FGFR4 (0.44) FGFR4PRMT5WDR77
SCHEMBL17655339 0.87 FGFR4 (0.39) FGFR4RAF1PRMT5WDR77CA2
SCHEMBL12653806 0.85 FGFR4 (0.44) FGFR4PRMT5WDR77
SCHEMBL17655335 0.83 FGFR4 (0.43) FGFR4PRMT5WDR77CA2CA9
SCHEMBL12654444 0.81 PRMT5 (0.39) FGFR4RAF1PRMT5WDR77CA2
SCHEMBL19365256 0.80 RAF1 (0.37) RAF1CA2CA9
SCHEMBL17624556 0.80 RAF1 (0.37) RAF1CA2CA9

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
Send feedback