SCHEMBL17655327

SCHEMBL17655327

Cc1cc(C)nc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 8/20 0.49
▸ FGFR4 P22455 10/20 0.48
▸ ADORA2A P29274 1/20 0.43
▸ P2RX1 P51575 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
SCHEMBL12654660 0.90 FGFR4 (0.46) PHGDHFGFR4ADORA2A
SCHEMBL12654516 0.89 P2RX1 (0.48) FGFR4ADORA2AP2RX1
SCHEMBL12654638 0.88 FGFR4 (0.45) PHGDHFGFR4
SCHEMBL17655343 0.86 FGFR4 (0.46) PHGDHFGFR4
SCHEMBL16775820 0.85 PHGDH (0.47) PHGDHADORA2A
SCHEMBL12654399 0.85 FGFR4 (0.59) PHGDHFGFR4P2RX1
SCHEMBL16775837 0.85 PHGDH (0.46) PHGDHADORA2A
SCHEMBL12654517 0.84 FGFR4 (0.43) FGFR4P2RX1
SCHEMBL12959008 0.84 PHGDH (0.49) PHGDHADORA2A
SCHEMBL12654639 0.84 FGFR4 (0.49) FGFR4P2RX1

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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