SCHEMBL12007

SCHEMBL12007

CCN(CC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4ccc(O)cc4)c4c(N)cncc43)n(Cc3ccccc3Cl)c(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.64
PIK3CG P48736 12/20 0.64
PIK3R1 P27986 7/20 0.64
PIK3CA P42336 3/20 0.60
PIK3CB P42338 2/20 0.60
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PTGES O14684 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL11872 0.94 PIK3CD (0.65) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL11985 0.89 PIK3CD (0.77) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12233 0.87 PIK3CD (0.63) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL11376 0.87 PIK3CD (0.84) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12097 0.86 PIK3CD (0.65) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL8714 0.86 PIK3CD (0.59) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12191 0.84 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12147 0.84 PIK3CD (0.64) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12079 0.83 PIK3CD (0.69) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12057 0.83 PIK3CD (0.74) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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-2491037-A1 COMPOUNDS Respivert Limited (GB) 2012-08-29 EP claimed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 WO claimed
EP-2491037-A1 COMPOUNDS Respivert Limited (GB) 2012-08-29 EP disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 WO disclosed