SCHEMBL12654199

SCHEMBL12654199

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)CCCO3)ccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.44
▸ GPR142 Q7Z601 2/20 0.39
▸ PIK3CA P42336 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ FAAH O00519 4/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL17655388 0.89 FGFR4 (0.47) FGFR4GPR142PIK3CADYRK1AFAAH
SCHEMBL12654407 0.86 GPR142 (0.47) FGFR4GPR142PIK3CADYRK1ACYP11B2
SCHEMBL17655331 0.85 GPR142 (0.44) FGFR4GPR142DYRK1ACYP11B2ABL1
SCHEMBL12654181 0.85 MPL (0.42) FGFR4GPR142FAAHGRM5
SCHEMBL12959048 0.85 FGFR4 (0.40) FGFR4GPR142FAAH
SCHEMBL12654406 0.84 GPR142 (0.42) FGFR4GPR142DYRK1ACYP11B2ABL1
SCHEMBL12958969 0.84 FGFR4 (0.49) FGFR4GPR142DYRK1AFAAHCYP11B2
SCHEMBL12654183 0.84 FGFR4 (0.39) FGFR4GPR142FAAHABL1RPS6KA2
SCHEMBL17655437 0.83 NPC1 (0.41) FGFR4GPR142DYRK1AWNT3A
SCHEMBL19365327 0.83 FAAH (0.36) FGFR4FAAHCYP11B2ABL1WNT3A

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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