SCHEMBL12097

SCHEMBL12097

Nc1cncc2c1c(-c1ccc(O)cc1)nn2Cc1nc2cccc(C#CCCCC(=O)NC3CCCC3)c2c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.65
PIK3CG P48736 12/20 0.65
PIK3R1 P27986 7/20 0.65
PIK3CA P42336 3/20 0.53
PIK3CB P42338 2/20 0.51
ALDH1A1 P00352 2/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALOX15 P16050 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
SCHEMBL12191 0.93 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL11985 0.90 PIK3CD (0.77) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12233 0.89 PIK3CD (0.63) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14749 0.88 PIK3CD (0.83) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL11872 0.87 PIK3CD (0.65) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12007 0.86 PIK3CD (0.64) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12079 0.85 PIK3CD (0.69) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL8714 0.84 PIK3CD (0.59) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14746 0.84 PIK3CD (0.80) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12224 0.83 PIK3CD (0.59) 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 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