SCHEMBL4099393

SCHEMBL4099393

CC(Nc1ncnc(N)c1N)c1cnc2c(N)cccc2c1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.41
PIK3CG P48736 10/20 0.41
PIK3CB P42338 9/20 0.41
PIK3CA P42336 8/20 0.41
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
PIK3R1 P27986 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
SCHEMBL4093343 0.91 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAAURKA
SCHEMBL4104277 0.91 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAAURKA
SCHEMBL4101744 0.91 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAAURKA
SCHEMBL4085486 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4104637 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4085689 0.86 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4086456 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4097964 0.81 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4092153 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2718843 0.79 PIK3CD (0.56) 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