SCHEMBL4560982

SCHEMBL4560982

CCC1(N)CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.44
CYP2D6 P10635 6/20 0.38
CYP1A2 P05177 2/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 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
SCHEMBL4379557 0.97 GSK3B (0.43) GSK3BCYP2D6LATS1LATS2
SCHEMBL4385249 0.85 GSK3B (0.46) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4380836 0.82 GSK3B (0.46) GSK3BCYP2D6CYP1A2LATS1LATS2
SCHEMBL15512999 0.80 GSK3B (0.44) GSK3BCYP2D6LATS1LATS2
SCHEMBL1832408 0.71 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL1833092 0.70 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL4377775 0.70 GSK3B (0.39) GSK3BCYP2D6CYP1A2LATS1LATS2
SCHEMBL1830258 0.70 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL1833018 0.69 GSK3B (0.48) GSK3BCYP2D6
SCHEMBL3568709 0.69 GSK3B (0.48) GSK3B

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 2 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 disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed