SCHEMBL12654633

SCHEMBL12654633

O=C(Nc1ncccn1)N1CCCc2ccc(-c3cccc(F)c3)nc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 14/20 0.48
▸ CYP11B2 P19099 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ PDE4B Q07343 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39

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
SCHEMBL12654191 0.89 FGFR4 (0.62) FGFR4
SCHEMBL12654640 0.88 FGFR4 (0.48) FGFR4CYP11B2NPY5RKMO
SCHEMBL12654639 0.87 FGFR4 (0.49) FGFR4NPY5RKMO
SCHEMBL12654401 0.87 CREBBP (0.44) FGFR4CYP11B2
SCHEMBL12654193 0.85 HTR2C (0.50) FGFR4CYP11B2
SCHEMBL12654187 0.84 FGFR4 (0.42) FGFR4CYP11B2PDE4B
SCHEMBL12654188 0.84 CNR1 (0.43) FGFR4CYP11B2KMO
SCHEMBL12654186 0.83 CYP11B2 (0.45) FGFR4CYP11B2
SCHEMBL12654638 0.83 FGFR4 (0.45) FGFR4
SCHEMBL12959055 0.82 FGFR4 (0.42) FGFR4CYP11B2

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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