SCHEMBL9953188

SCHEMBL9953188

COc1c([C](C)C(C)(C)C)cc(Cl)c(C)c1C1CN(C(C)C)C(=O)CO1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9953190 0.80 PIK3CD (0.35) PIK3CD
SCHEMBL9952122 0.79 PIK3CD (0.37) PIK3CDL3MBTL1
SCHEMBL9928906 0.78 PIK3CD (0.41) PIK3CDL3MBTL1
SCHEMBL9929494 0.68 PIK3CD (0.44) PIK3CD
Trifluoroacetic Acid SCHEMBL9952333 0.68 PIK3CD (0.34) PIK3CD
Trifluoroacetic Acid SCHEMBL9929245 0.67 PIK3CD (0.41) PIK3CD
SCHEMBL14736118 0.67 PIK3CD (0.49) PIK3CD
SCHEMBL15996126 0.63 PIK3CD (0.33) PIK3CD
SCHEMBL14736330 0.62 PIK3CD (0.59) PIK3CD
SCHEMBL14742470 0.61 PIK3CD (0.35) 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