SCHEMBL17655412

SCHEMBL17655412

O=C(Nc1cccc(OCCCCO)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.46
▸ GPR52 Q9Y2T5 1/20 0.41
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GPR142 Q7Z601 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ RAF1 P04049 3/20 0.35
▸ BRAF P15056 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ KMO O15229 1/20 0.34
▸ KIF18A Q8NI77 2/20 0.34
▸ PHGDH O43175 1/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ STAT3 P40763 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
SCHEMBL17655323 0.89 FGFR4 (0.42) FGFR4GPR52CA2CA9GPR142
SCHEMBL12805953 0.88 FGFR4 (0.45) FGFR4GPR52CA2CA9GPR142
SCHEMBL12959030 0.88 FGFR4 (0.45) FGFR4GPR52CA2CA9GPR142
SCHEMBL12805950 0.88 FGFR4 (0.45) FGFR4GPR52CA2CA9GPR142
SCHEMBL17655355 0.84 GPR52 (0.41) GPR52CA2CA9RAF1BRAF
SCHEMBL12653771 0.83 FGFR4 (0.54) FGFR4CA2CA9GPR142CNR2
SCHEMBL1817581 0.82 FGFR4 (0.43) FGFR4CA2CA9GPR142RAF1
SCHEMBL1817583 0.82 FGFR4 (0.43) FGFR4CA2CA9GPR142RAF1
SCHEMBL12654380 0.82 FGFR4 (0.52) FGFR4CA2CA9GPR142CNR2
SCHEMBL1817976 0.81 FGFR4 (0.47) FGFR4CA2CA9GPR142CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
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