SCHEMBL9952294

SCHEMBL9952294

COc1c(CCCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.54
PIK3CG P48736 1/20 0.30
PIP4K2C Q8TBX8 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
SCHEMBL9952172 0.87 PIK3CD (0.39) PIK3CD
SCHEMBL9960475 0.84 PIK3CD (0.43) PIK3CD
Trifluoroacetic Acid SCHEMBL9952359 0.83 PIK3CD (0.37) PIK3CD
SCHEMBL9952823 0.82 PIK3CD (0.42) PIK3CD
SCHEMBL9929092 0.80 PIK3CD (0.79) PIK3CDPIK3CG
SCHEMBL9929185 0.80 PIK3CD (0.64) PIK3CDPIK3CG
SCHEMBL9953057 0.80 PIK3CD (0.44) PIK3CDPIK3CG
SCHEMBL12813060 0.79 PIK3CD (0.69) PIK3CDPIK3CG
SCHEMBL9952453 0.78 PIK3CD (0.42) PIK3CD
SCHEMBL9953808 0.77 PIK3CD (0.38) PIK3CD

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