SCHEMBL12224

SCHEMBL12224

Nc1cncc2c1c(-c1cccc(O)c1)nn2Cc1nc2cccc(C#CCCCC(=O)Nc3ccncc3)c2c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.59
PIK3CG P48736 13/20 0.59
PIK3CA P42336 4/20 0.59
PIK3CB P42338 3/20 0.58
PIK3R1 P27986 7/20 0.56
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33
TP53 P04637 2/20 0.31
PTGES O14684 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12233 0.94 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12079 0.90 PIK3CD (0.69) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12147 0.89 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12057 0.88 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11505 0.88 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL31655842 0.88 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11985 0.85 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12257 0.84 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12097 0.83 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11872 0.83 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