SCHEMBL12654660

SCHEMBL12654660

Cc1cccc(NC(=O)N2CCCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 11/20 0.46
▸ ADORA2A P29274 1/20 0.43
▸ SORT1 Q99523 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PHGDH O43175 1/20 0.41
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL17655327 0.90 PHGDH (0.49) FGFR4ADORA2APHGDH
SCHEMBL12654527 0.88 FGFR4 (0.56) FGFR4PHGDH
SCHEMBL17655345 0.86 GRM5 (0.48) FGFR4RAB9A
SCHEMBL12654516 0.86 P2RX1 (0.48) FGFR4ADORA2ASORT1
SCHEMBL12654531 0.85 FGFR4 (0.44) FGFR4
SCHEMBL12654399 0.85 FGFR4 (0.59) FGFR4PHGDH
SCHEMBL12654666 0.84 FGFR4 (0.49) FGFR4
SCHEMBL12654661 0.84 FGFR4 (0.55) FGFR4
SCHEMBL12654530 0.84 CA2 (0.44) FGFR4PHGDH
SCHEMBL12654517 0.83 FGFR4 (0.43) FGFR4RAB9A

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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