SCHEMBL12057

SCHEMBL12057

COCCNC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)cncc43)n(Cc3ccccc3Cl)c(=O)c12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.74
PIK3CG P48736 13/20 0.74
PIK3CA P42336 4/20 0.74
PIK3CB P42338 3/20 0.65
PIK3R1 P27986 7/20 0.56
TP53 P04637 2/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 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
SCHEMBL12079 0.90 PIK3CD (0.69) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12224 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL31655843 0.88 PIK3CD (0.94) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL10993 0.88 PIK3CD (0.94) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12147 0.88 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12257 0.85 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11985 0.84 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12233 0.83 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12007 0.83 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11872 0.82 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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