SCHEMBL12654444

SCHEMBL12654444

O=C(Nc1cncc(OCC(O)CO)n1)N1CCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ FGFR4 P22455 5/20 0.38
▸ HTR2C P28335 8/20 0.37
▸ HTR2A P28223 5/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL12653806 0.96 FGFR4 (0.44) PRMT5WDR77FGFR4
SCHEMBL12654540 0.89 TRPV1 (0.34) PRMT5WDR77FGFR4RAF1CA2
SCHEMBL12653790 0.88 RAF1 (0.35) PRMT5WDR77FGFR4RAF1CA2
SCHEMBL12653828 0.88 FGFR4 (0.45) PRMT5WDR77FGFR4RAF1CA2
SCHEMBL18415686 0.87 FGFR4 (0.44) PRMT5WDR77FGFR4
SCHEMBL12654665 0.87 PRMT5 (0.39) PRMT5WDR77FGFR4HTR2CHTR2A
SCHEMBL12654662 0.87 PRMT5 (0.43) PRMT5WDR77FGFR4HTR2CHTR2A
SCHEMBL17655335 0.83 FGFR4 (0.43) PRMT5WDR77FGFR4CA2CA9
SCHEMBL16754334 0.81 RAF1 (0.36) RAF1CA2CA9KMO
SCHEMBL16754360 0.81 RAF1 (0.36) RAF1CA2CA9KMO

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 4 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
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
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