SCHEMBL4383616

SCHEMBL4383616

COc1ncccc1C(=O)NC1CCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
NTRK1 P04629 1/20 0.40
ACKR3 P25106 1/20 0.39
GPR6 P46095 5/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TYK2 P29597 3/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 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
SCHEMBL4952879 0.97 MEN1 (0.47) MEN1KMT2AL3MBTL1NTRK1ACKR3
SCHEMBL4377844 0.95 MEN1 (0.45) MEN1KMT2AL3MBTL1NTRK1ACKR3
SCHEMBL4378646 0.91 MEN1 (0.46) MEN1KMT2AL3MBTL1NTRK1ACKR3
SCHEMBL2065326 0.88 KMT2A (0.46) MEN1KMT2AALDH1A1LMNABRD4
SCHEMBL4377879 0.88 MEN1 (0.45) MEN1KMT2AL3MBTL1NTRK1ACKR3
SCHEMBL4391908 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1PRKACAROCK1
SCHEMBL4387186 0.86 L3MBTL1 (0.56) MEN1KMT2AL3MBTL1GAA
SCHEMBL2065962 0.86 KMT2A (0.46) MEN1KMT2AALDH1A1LMNA
SCHEMBL4385219 0.85 MEN1 (0.43) MEN1KMT2AL3MBTL1NTRK1GPR6
SCHEMBL4391283 0.85 CYP2C9 (0.39) MEN1KMT2AL3MBTL1ALDH1A1GAA

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