SCHEMBL4381749

SCHEMBL4381749

CC(C)(C)OC(=O)N1CCCN(c2ccc(C(=O)NC3CCCn4c3nc(-c3ccncn3)cc4=O)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.45
GPR119 Q8TDV5 4/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PDE10A Q9Y233 1/20 0.39
GSK3B P49841 1/20 0.39
FASN P49327 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
USP30 Q70CQ3 2/20 0.38
CDK2 P24941 1/20 0.37
HPGDS O60760 2/20 0.37
LCK P06239 2/20 0.37
JAK3 P52333 2/20 0.37
BTK Q06187 1/20 0.36
KMT2A Q03164 1/20 0.36
WNT3A P56704 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
SCHEMBL4378670 0.90 TBK1 (0.50) TBK1GPR119DDB1CRBNCKS1B
SCHEMBL4953531 0.87 FASN (0.39) GSK3BFASNHRH3USP30HPGDS
SCHEMBL4381747 0.80 KMT2A (0.40) GSK3BKMT2A
SCHEMBL4378741 0.78 ALDH1A1 (0.44) GSK3B
SCHEMBL4377805 0.77 ALDH1A1 (0.45) GSK3B
SCHEMBL4383822 0.76 SCN9A (0.45) HPGDS
SCHEMBL2066076 0.75 GSK3B (0.47) GSK3B
SCHEMBL4381753 0.74 GPR119 (0.44) TBK1GPR119DDB1CRBNCKS1B
SCHEMBL2065426 0.74 DRD4 (0.42) GSK3B
SCHEMBL4383564 0.74 SCN9A (0.42) GSK3BHPGDS

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