SCHEMBL4378646

SCHEMBL4378646

COc1ncccc1C(=O)NC1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 14/20 0.42
NTRK1 P04629 1/20 0.41
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
ACKR3 P25106 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GPR6 P46095 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
SCHEMBL4377879 0.97 MEN1 (0.45) MEN1KMT2AGSK3BNTRK1CYP2D6
SCHEMBL4385219 0.95 MEN1 (0.43) MEN1KMT2AGSK3BNTRK1CYP2D6
SCHEMBL4383616 0.91 MEN1 (0.47) MEN1KMT2ANTRK1ACKR3L3MBTL1
SCHEMBL3661764 0.90 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4387202 0.89 GSK3B (0.41) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL2065359 0.89 GSK3B (0.46) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4953302 0.89 L3MBTL1 (0.53) MEN1KMT2AGSK3BCYP3A4L3MBTL1
SCHEMBL3659720 0.89 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4952879 0.88 MEN1 (0.47) MEN1KMT2ANTRK1CYP1A2CYP3A4
SCHEMBL3722894 0.87 GSK3B (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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