SCHEMBL4380168

SCHEMBL4380168

O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1cccnc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP2D6 P10635 6/20 0.38
CYP1A2 P05177 5/20 0.38
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 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
SCHEMBL4379543 0.97 CYP1A2 (0.38) GSK3BUSP30CYP2D6CYP1A2CSNK1A1
SCHEMBL2066088 0.87 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL4378646 0.87 MEN1 (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4385660 0.87 RAB9A (0.48) GSK3BCYP2D6
SCHEMBL4391283 0.86 CYP2C9 (0.39) GSK3BCYP1A2CSNK1A1GSK3A
SCHEMBL2065745 0.85 KDM4E (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL4377879 0.84 MEN1 (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL2065359 0.84 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL2066076 0.84 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL2065105 0.84 GSK3B (0.44) GSK3BCYP2D6CYP1A2

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-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-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed