SCHEMBL9953793

SCHEMBL9953793

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.39
PIK3C3 Q8NEB9 1/20 0.36
GPR55 Q9Y2T6 2/20 0.36
PIK3CB P42338 4/20 0.35
PIK3CD O00329 5/20 0.34
PIK3CA P42336 3/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PTGS2 P35354 4/20 0.33
CYP11B2 P19099 1/20 0.33
KDM1A O60341 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
SCHEMBL9952021 0.80 PIK3CG (0.36) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL9929002 0.76 PIK3C3 (0.40) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL9954073 0.73 PIK3CG (0.36) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL9928787 0.69 PIK3C3 (0.38) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL9954216 0.66 PIK3CD (0.44) PIK3CGPIK3C3GPR55PIK3CDPTGS2
SCHEMBL9929356 0.66 PIK3CD (0.42) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
Hydrochloric Acid SCHEMBL9928961 0.66 PIK3CD (0.42) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL9952024 0.66 PIK3CD (0.37) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL9953789 0.65 PTGS2 (0.39) PIK3CGPIK3C3GPR55PIK3CBPIK3CD
SCHEMBL12417957 0.63 PTGS2 (0.48) PIK3CGPIK3C3PIK3CBPIK3CDPIK3CA

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