SCHEMBL4097646

SCHEMBL4097646

CC(Nc1ncnc(N)c1C#N)c1cnc2ccccc2c1-c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.59
PIK3CG P48736 14/20 0.59
PIK3CB P42338 13/20 0.59
PIK3CA P42336 12/20 0.59
PIK3R1 P27986 1/20 0.54

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
SCHEMBL4092565 1.00 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2718757 1.00 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15437053 1.00 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15437119 0.89 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4087846 0.89 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2717788 0.89 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15437106 0.89 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL10198868 0.89 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15437004 0.89 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4087808 0.89 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed