SCHEMBL4385219

SCHEMBL4385219

COc1ncccc1C(=O)NC1CCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 15/20 0.43
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
NTRK1 P04629 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GPR6 P46095 1/20 0.38

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
SCHEMBL4378646 0.95 MEN1 (0.46) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4377879 0.94 MEN1 (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL3661764 0.92 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4377844 0.90 MEN1 (0.45) MEN1KMT2AGSK3BCYP2D6NTRK1
SCHEMBL3659720 0.90 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL3722894 0.89 GSK3B (0.46) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL3661520 0.88 GSK3B (0.39) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4383616 0.85 MEN1 (0.47) MEN1KMT2ANTRK1L3MBTL1GPR6
SCHEMBL4952879 0.84 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4NTRK1
SCHEMBL4387202 0.84 GSK3B (0.41) MEN1KMT2AGSK3BCYP2D6CYP1A2

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