SCHEMBL4099377

SCHEMBL4099377

CC(Nc1ncnc(N)c1N)c1cnc2c(Cl)cccc2c1-c1ccn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.39
PIK3R2 O00459 5/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CA P42336 3/20 0.39
BCL2 P10415 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.33

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
SCHEMBL2729871 0.90 PIK3CD (0.51) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL4104277 0.85 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGPIK3CBPIK3CA
SCHEMBL4093343 0.85 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGPIK3CBPIK3CA
SCHEMBL4101744 0.85 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGPIK3CBPIK3CA
SCHEMBL4101416 0.80 BCL2 (0.54) PIK3CDPIK3R2PIK3CGPIK3CBPIK3CA
SCHEMBL2730616 0.79 NR4A2 (0.38) PIK3R2HAVCR2
SCHEMBL4099393 0.76 PIK3CD (0.41) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL4104637 0.74 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL4085486 0.74 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL15437024 0.74 PIK3CD (0.59) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1

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