SCHEMBL9954073

SCHEMBL9954073

CS(=O)(=O)c1cncc(-c2c(O)c(CC=O)cc(Cl)c2F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.36
GPR55 Q9Y2T6 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
PIK3CB P42338 4/20 0.33
PIK3CD O00329 5/20 0.33
PIK3CA P42336 3/20 0.33
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
S100A9 P06702 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP11B2 P19099 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9929002 0.78 PIK3C3 (0.40) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
SCHEMBL12813032 0.76 PIK3CD (0.48) PIK3CGPIK3C3PIK3CBPIK3CDPIK3CA
SCHEMBL12813247 0.74 PIK3CD (0.38) PIK3CGPIK3C3PIK3CBPIK3CDPIK3CA
SCHEMBL9953793 0.73 PIK3CG (0.39) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
SCHEMBL9952024 0.70 PIK3CD (0.37) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
Hydrochloric Acid SCHEMBL9953058 0.70 PIK3CD (0.36) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
SCHEMBL9928787 0.69 PIK3C3 (0.38) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
SCHEMBL9929356 0.67 PIK3CD (0.42) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
SCHEMBL9952021 0.67 PIK3CG (0.36) PIK3CGGPR55PIK3C3PIK3CBPIK3CD
Hydrochloric Acid SCHEMBL9928961 0.66 PIK3CD (0.42) PIK3CGGPR55PIK3C3PIK3CBPIK3CD

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