SCHEMBL8714

SCHEMBL8714

NC(=O)NCC#Cc1cccc2nc(Cn3nc(-c4ccc(O)cc4)c4c(N)cncc43)n(Cc3ccccc3Cl)c(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.59
PIK3CG P48736 13/20 0.59
PIK3R1 P27986 7/20 0.59
PIK3CA P42336 4/20 0.49
PIK3CB P42338 3/20 0.48
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
MTOR P42345 1/20 0.32
PRKDC P78527 1/20 0.32
PTGES O14684 1/20 0.32

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 0.87 PIK3CD (0.65) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL11985 0.87 PIK3CD (0.77) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12007 0.86 PIK3CD (0.64) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12257 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL31655836 0.86 PIK3CD (0.78) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL11259 0.86 PIK3CD (0.78) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12233 0.85 PIK3CD (0.63) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12097 0.84 PIK3CD (0.65) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12191 0.82 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12147 0.81 PIK3CD (0.64) 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