SCHEMBL4385660

SCHEMBL4385660

CSc1ncccc1C(=O)NC1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3B P49841 8/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GPR6 P46095 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4386485 0.90 HSD11B1 (0.51) RAB9AKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4385766 0.87 RAB9A (0.51) RAB9AKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4380168 0.87 GSK3B (0.38) GSK3BCYP2D6
SCHEMBL4378646 0.86 MEN1 (0.46) KMT2AMEN1L3MBTL1GSK3BGPR6
SCHEMBL2066088 0.85 GSK3B (0.40) RAB9AALDH1A1GSK3BKDM4ELMNA
SCHEMBL4379543 0.84 CYP1A2 (0.38) KMT2AMEN1GSK3BCYP2D6
SCHEMBL4377879 0.84 MEN1 (0.45) KMT2AMEN1L3MBTL1GSK3BGPR6
SCHEMBL2065359 0.84 GSK3B (0.46) KMT2AMEN1GSK3BLMNACYP2D6
SCHEMBL2065745 0.82 KDM4E (0.40) RAB9AALDH1A1GSK3BKDM4ELMNA
SCHEMBL2065304 0.82 GSK3B (0.40) GSK3BCYP2D6

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 6 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
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