SCHEMBL4099701

SCHEMBL4099701

C[C@H](Nc1ncnc(N)c1N)c1cnc2c(F)cccc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.43
PIK3CG P48736 10/20 0.42
PIK3CB P42338 8/20 0.42
PIK3CA P42336 5/20 0.42
BCL2 P10415 1/20 0.40
PIK3R2 O00459 1/20 0.39
EGFR P00533 2/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL10202042 1.00 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4097654 1.00 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4103452 0.91 BCL2 (0.49) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4097264 0.91 BCL2 (0.49) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4097957 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4098100 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL4100422 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL15437048 0.88 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL15437079 0.88 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CABCL2
SCHEMBL2718677 0.88 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CABCL2

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