SCHEMBL4387983

SCHEMBL4387983

O=C(NC1CCn2c1nc(-c1ccncc1)cc2=O)c1ccc2ncccc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
HPGD P15428 1/20 0.35
GSK3B P49841 1/20 0.35
SCN9A Q15858 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CHRNA7 P36544 3/20 0.34
CYP2C9 P11712 2/20 0.34
HTR3A P46098 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MGLL Q99685 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE4B Q07343 1/20 0.33

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
SCHEMBL4386475 0.94 HPGD (0.38) NAMPTHPGDGSK3BIRAK4CYP2C9
SCHEMBL4386979 0.89 GSK3B (0.38) NAMPTGSK3B
SCHEMBL3659187 0.85 P2RY12 (0.41) HPGDGSK3BLMNAMAPK1
SCHEMBL4384596 0.84 GSK3B (0.37) NAMPTGSK3B
SCHEMBL4383569 0.83 GSK3B (0.37) GSK3BLMNAPDE3BPDE3A
SCHEMBL4377844 0.80 MEN1 (0.45) GSK3B
SCHEMBL3403493 0.80 GSK3B (0.35) NAMPTGSK3B
SCHEMBL4386384 0.77 CYP2C9 (0.38) HPGDGSK3BCHRNA7CYP2C9HTR3A
SCHEMBL3664250 0.75 GSK3B (0.43) HPGDGSK3BLMNAMGLL
SCHEMBL4391283 0.75 CYP2C9 (0.39) GSK3BIRAK4CYP2C9MAPK1

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 3 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 disclosed