SCHEMBL4378670

SCHEMBL4378670

CC(C)(C)OC(=O)N1CCCN(c2ccc(C(=O)NC3CCCCn4c3nc(-c3ccncc3)cc4=O)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.50
GPR119 Q8TDV5 5/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
USP30 Q70CQ3 3/20 0.41
HDAC2 Q92769 1/20 0.41
FASN P49327 1/20 0.40
PDE10A Q9Y233 1/20 0.40
WNT3A P56704 1/20 0.39
CDK2 P24941 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HPGDS O60760 2/20 0.37
RET P07949 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
SCHEMBL4381749 0.90 TBK1 (0.45) TBK1GPR119DDB1CRBNCKS1B
SCHEMBL4953531 0.81 FASN (0.39) USP30HDAC2FASNHRH3HPGDS
SCHEMBL4386108 0.80 RAB9A (0.41) HDAC2
SCHEMBL4391262 0.78 ALDH1A1 (0.45) HDAC2
SCHEMBL4386460 0.76 SCN9A (0.46) HPGDS
SCHEMBL4390474 0.75 ALDH1A1 (0.46)
SCHEMBL4378676 0.75 TBK1 (0.41) TBK1GPR119DDB1CRBNCKS1B
SCHEMBL4389047 0.74 HPGDS (0.40) USP30HDAC2HPGDS
SCHEMBL3663855 0.72 USP30 (0.42) GPR119USP30
SCHEMBL2065134 0.72 GSK3B (0.46) USP30

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-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