SCHEMBL9952882

SCHEMBL9952882

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
GPR55 Q9Y2T6 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
CTPS1 P17812 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
SCHEMBL9952112 0.87 PIK3CD (0.44) PIK3CDPTGDR2
SCHEMBL9929160 0.82 PIK3CD (0.44) PIK3CDGPR55PIK3C3PTGDR2SCN5A
SCHEMBL9929356 0.81 PIK3CD (0.42) PIK3CDGPR55PIK3C3SCN5ASCN9A
SCHEMBL9953064 0.81 PIK3CD (0.40) PIK3CDPIK3C3
Hydrochloric Acid SCHEMBL9928961 0.81 PIK3CD (0.42) PIK3CDGPR55PIK3C3SCN5ASCN9A
SCHEMBL19571043 0.80 PIK3CD (0.39) PIK3CDGPR55PIK3C3PTGDR2SCN5A
SCHEMBL9928787 0.78 PIK3C3 (0.38) PIK3CDGPR55PIK3C3PTGDR2SCN9A
SCHEMBL9929246 0.75 LMNA (0.32) CYP2C9
SCHEMBL9952024 0.73 PIK3CD (0.37) PIK3CDGPR55PIK3C3CYP2C9
Hydrochloric Acid SCHEMBL9953058 0.72 PIK3CD (0.36) PIK3CDGPR55PIK3C3CYP2C9

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