SCHEMBL9952129

SCHEMBL9952129

CCOc1c(CCOC(N)=O)cc(Cl)c(C#N)c1-c1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.46
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAPK8 P45983 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MTOR P42345 1/20 0.32
REN P00797 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
SCHEMBL9952563 0.90 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9952875 0.83 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9952127 0.82 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9952877 0.82 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9929140 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL9929384 0.81 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14742472 0.81 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14742222 0.81 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9954291 0.80 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14742454 0.80 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed