SCHEMBL4377775

SCHEMBL4377775

CC1(NC(=O)c2cccnc2)CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.39
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HDAC1 Q13547 1/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
BCR P11274 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL4954713 0.84 GSK3B (0.36) GSK3BLATS1LATS2CYP2D6HDAC1
SCHEMBL4378591 0.84 GSK3B (0.38) GSK3BCYP1A2CYP2D6GAA
SCHEMBL4392100 0.83 GSK3B (0.35) GSK3BLATS1LATS2CYP1A2CYP2D6
SCHEMBL2066100 0.83 GSK3B (0.43) GSK3BALDH1A1CYP1A2CYP2D6ABL1
SCHEMBL4384554 0.81 GSK3B (0.37) GSK3BALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL4385699 0.81 GSK3B (0.35) GSK3BLATS1LATS2CYP2D6HDAC1
SCHEMBL3373754 0.80 OPRD1 (0.41) GSK3BCYP1A2CYP2D6GAAKMT2A
SCHEMBL2067140 0.80 GSK3B (0.42) GSK3BCYP1A2CYP2D6
SCHEMBL2064528 0.79 KCNMA1 (0.42) GSK3BALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL2065915 0.79 GSK3B (0.37) GSK3BCYP1A2CYP2D6

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