SCHEMBL4386485

SCHEMBL4386485

CCCSc1ncccc1C(=O)NC1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.51
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
GSK3B P49841 3/20 0.36

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
SCHEMBL4385660 0.90 RAB9A (0.48) MEN1ALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL4948489 0.88 HSD11B1 (0.54) HSD11B1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4380168 0.83 GSK3B (0.38) GSK3B
SCHEMBL4378646 0.83 MEN1 (0.46) MEN1KMT2AL3MBTL1GSK3B
SCHEMBL2066088 0.82 GSK3B (0.40) ALDH1A1RAB9AGSK3B
SCHEMBL4379543 0.81 CYP1A2 (0.38) MEN1KMT2AGSK3B
SCHEMBL4377879 0.81 MEN1 (0.45) MEN1KMT2AL3MBTL1GSK3B
SCHEMBL2065359 0.80 GSK3B (0.46) MEN1KMT2AGSK3B
SCHEMBL2065745 0.79 KDM4E (0.40) ALDH1A1RAB9AGSK3B
SCHEMBL2065304 0.79 GSK3B (0.40) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US claimed
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
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed