SCHEMBL4086456

SCHEMBL4086456

C[C@@H](Nc1ncnc(N)c1N)c1cnc2c(Cl)cc(F)cc2c1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.49
PIK3CG P48736 12/20 0.49
PIK3CB P42338 11/20 0.49
PIK3CA P42336 10/20 0.49
BCL2 P10415 1/20 0.42
PIK3R1 P27986 1/20 0.39

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
SCHEMBL4092153 1.00 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4097964 0.91 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL10202045 0.90 PIK3CD (0.46) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL15437102 0.89 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL2720230 0.89 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL15437009 0.89 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4101744 0.86 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4093343 0.86 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4104277 0.86 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4104637 0.83 PIK3CD (0.43) 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