SCHEMBL3716161

SCHEMBL3716161

COC(=O)c1cc(Cl)nc(N2CCOC(CO)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.45
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
LRRK2 Q5S007 5/20 0.40
EIF2AK4 Q9P2K8 1/20 0.39
PDE5A O76074 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
KIF18A Q8NI77 2/20 0.38

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
SCHEMBL3714085 0.89 PIK3CA (0.41) AKT1PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1579169 0.80 PIK3CA (0.58) AKT1PIK3CAPIK3CBPIK3CGRAF1
SCHEMBL31330604 0.80 PIK3CA (0.38) PIK3CAPIK3CBPIK3CDEIF2AK4PDE10A
SCHEMBL34470523 0.80 PIK3CA (0.38) PIK3CAPIK3CBPIK3CDEIF2AK4PDE10A
SCHEMBL3709425 0.77 LMNA (0.46) PIK3CAPIK3CB
SCHEMBL3711296 0.76 LMNA (0.41) PIK3CAPIK3CBPDE10A
SCHEMBL21796865 0.76 PIK3CD (0.44) AKT1PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL13188830 0.76 LMNA (0.48) PIK3CAPIK3CB
SCHEMBL18399228 0.76 PIK3CD (0.44) AKT1PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL3710227 0.76 LMNA (0.48) PIK3CAPIK3CB

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed