SCHEMBL12654432

SCHEMBL12654432

CCN1CCCN(C(=O)Nc2ccc(F)cn2)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 4/20 0.43
▸ EPHX2 P34913 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL12654669 0.88 CNR2 (0.50) FGFR4ALDH1A1CNR2SIRT2KMT2A
SCHEMBL12654526 0.86 MPL (0.42) CNR2GRM5
SCHEMBL12654659 0.86 FGFR4 (0.41) FGFR4EPHX2ALDH1A1CNR2IDO1
SCHEMBL17655390 0.85 GRM5 (0.47) ALDH1A1CNR2MAPTKMT2AGRM5
SCHEMBL19365232 0.84 FGFR4 (0.47) FGFR4EPHX2GRM5
SCHEMBL12654429 0.84 PHGDH (0.41) ALDH1A1CNR2MEN1KMT2AGRM5
SCHEMBL17655361 0.83 ROCK2 (0.36) CNR2MAPT
SCHEMBL12654670 0.82 CNR1 (0.38) ALDH1A1CNR2MEN1MAPTKMT2A
SCHEMBL17655384 0.82 TP53 (0.40) CNR2SIRT2MEN1MAPTKMT2A
SCHEMBL12654207 0.82 FGFR4 (0.52) FGFR4IDO1

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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