SCHEMBL17655353

SCHEMBL17655353

Cc1cc(-c2cccc(C(F)(F)F)c2)nc2c1OCCN2C(=O)Nc1cccc(OCC(O)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 12/20 0.39
▸ BRAF P15056 5/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ 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
SCHEMBL17655348 0.89 RAF1 (0.37) RAF1
SCHEMBL12805950 0.88 FGFR4 (0.45) RAF1FGFR4GPR52CNR2CA2
SCHEMBL12805953 0.88 FGFR4 (0.45) RAF1FGFR4GPR52CNR2CA2
SCHEMBL12959030 0.88 FGFR4 (0.45) RAF1FGFR4GPR52CNR2CA2
SCHEMBL12653773 0.88 FGFR4 (0.38) RAF1BRAFFGFR4EGFRGPR52
SCHEMBL17655444 0.83 FGFR4 (0.42) RAF1BRAFFGFR4GPR52
SCHEMBL18415693 0.81 RAF1 (0.37) RAF1GPR52CA2CA9TRPV3
SCHEMBL18415686 0.81 FGFR4 (0.44) FGFR4GPR52
SCHEMBL19365868 0.81 GPR52 (0.38) RAF1FGFR4GPR52CA2CA9
SCHEMBL17655442 0.81 GPR52 (0.36) RAF1FGFR4GPR52CA2CA9

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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