SCHEMBL4386460

SCHEMBL4386460

O=C(NC1CCCCn2c1nc(-c1ccncc1)cc2=O)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.46
KCNH2 Q12809 4/20 0.46
SCN5A Q14524 4/20 0.46
HPGDS O60760 1/20 0.40
EPHX2 P34913 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4383564 0.91 SCN9A (0.42) SCN9AKCNH2SCN5AHPGDSEPHX2
SCHEMBL4383822 0.88 SCN9A (0.45) SCN9AKCNH2SCN5AHPGDSCNR2
SCHEMBL4386108 0.83 RAB9A (0.41)
SCHEMBL4391262 0.83 ALDH1A1 (0.45)
SCHEMBL4390474 0.80 ALDH1A1 (0.46) L3MBTL1
SCHEMBL4389047 0.79 HPGDS (0.40) HPGDS
SCHEMBL2065134 0.78 GSK3B (0.46)
SCHEMBL2065605 0.77 BRAF (0.39)
SCHEMBL4378670 0.76 TBK1 (0.50) HPGDS
SCHEMBL2065321 0.75 KDM4E (0.43)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed