SCHEMBL9952024

SCHEMBL9952024

CCOc1c(CCN)cc(Cl)c(F)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.37
PIK3CG P48736 5/20 0.36
PTGS2 P35354 4/20 0.35
GPR55 Q9Y2T6 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP2C9 P11712 1/20 0.32
PIK3CB P42338 3/20 0.31
PIK3CA P42336 2/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP11B2 P19099 1/20 0.31
SOS1 Q07889 1/20 0.30
FPR2 P25090 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
Hydrochloric Acid SCHEMBL9953058 0.99 PIK3CD (0.36) PIK3CDPIK3CGPTGS2GPR55PRMT5
SCHEMBL9929356 0.82 PIK3CD (0.42) PIK3CDPIK3CGPTGS2GPR55PRMT5
Hydrochloric Acid SCHEMBL9928961 0.82 PIK3CD (0.42) PIK3CDPIK3CGPTGS2GPR55PRMT5
SCHEMBL9928787 0.80 PIK3C3 (0.38) PIK3CDPIK3CGPTGS2GPR55CYP2C9
SCHEMBL9953057 0.80 PIK3CD (0.44) PIK3CDPIK3CG
SCHEMBL9952178 0.78 PIK3CD (0.42) PIK3CDPIK3CGPRMT5WDR77CYP2C9
SCHEMBL12813269 0.78 PIK3CD (0.49) PIK3CDPIK3CGPTGS2PRMT5WDR77
SCHEMBL19571043 0.78 PIK3CD (0.39) PIK3CDPIK3CGPTGS2GPR55CYP2C9
SCHEMBL9929160 0.76 PIK3CD (0.44) PIK3CDPIK3CGGPR55CYP2C9PIK3CB
SCHEMBL9952021 0.74 PIK3CG (0.36) PIK3CDPIK3CGPTGS2GPR55PRMT5

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