SCHEMBL4393751

SCHEMBL4393751

O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1cccnc1Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 3/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GSK3B P49841 1/20 0.37
PDE2A O00408 1/20 0.37
UGCG Q16739 2/20 0.37
P2RX3 P56373 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
SCHEMBL4953302 0.92 L3MBTL1 (0.53) KDM4EL3MBTL1GSK3BUGCG
SCHEMBL4388471 0.89 KDM4E (0.47) KDM4EL3MBTL1POLBRAB9AALDH1A1
SCHEMBL4378646 0.87 MEN1 (0.46) L3MBTL1CYP1A2CYP2D6GSK3B
SCHEMBL4377879 0.85 MEN1 (0.45) L3MBTL1CYP1A2CYP2D6GSK3B
SCHEMBL4380168 0.83 GSK3B (0.38) CYP1A2CYP2D6GSK3B
SCHEMBL4385219 0.82 MEN1 (0.43) L3MBTL1CYP1A2CYP2D6GSK3B
SCHEMBL4387186 0.81 L3MBTL1 (0.56) KDM4EL3MBTL1UGCG
SCHEMBL2066088 0.81 GSK3B (0.40) KDM4ERAB9AALDH1A1CYP1A2CYP2D6
SCHEMBL2064592 0.81 F10 (0.44) RAB9ACYP1A2CYP2D6GSK3B
SCHEMBL2065310 0.81 DRD2 (0.43) RAB9ACYP1A2CYP2D6GSK3B

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