SCHEMBL9954296

SCHEMBL9954296

CCOc1c(C(C)NC(=O)OC(C)(C)C)cc(Cl)c(C#N)c1-c1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.48
TRPA1 O75762 1/20 0.37
AAK1 Q2M2I8 4/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL16945988 0.89 PIK3CD (0.53) PIK3CD
SCHEMBL9929140 0.86 PIK3CD (0.56) PIK3CD
Hydrochloric Acid SCHEMBL9929384 0.85 PIK3CD (0.55) PIK3CD
SCHEMBL9928991 0.82 PIK3CD (0.49) PIK3CDNR1H2NR1H3
SCHEMBL17341787 0.82 PIK3CD (0.58) PIK3CDTRPA1
SCHEMBL9952127 0.81 PIK3CD (0.53) PIK3CD
SCHEMBL9952877 0.79 PIK3CD (0.48) PIK3CDNR1H2NR1H3
SCHEMBL9954293 0.79 PIK3CD (0.48) PIK3CD
SCHEMBL9929484 0.79 PIK3CD (0.50) PIK3CD
SCHEMBL14736069 0.79 PIK3CD (0.51) 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