SCHEMBL2717253

SCHEMBL2717253

N#Cc1cccc(-c2c(CCNc3ncnc(N)c3C#N)cnc3ccc(F)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.46
PIK3CB P42338 13/20 0.46
PIK3CG P48736 13/20 0.46
PIK3CA P42336 12/20 0.46
MAP4K4 O95819 1/20 0.45
CYP3A4 P08684 7/20 0.43
USP2 O75604 4/20 0.43
CYP1A2 P05177 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
LMNA P02545 3/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CCNC P24863 1/20 0.42
CDKN1A P38936 1/20 0.42
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL2717867 0.94 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAMAP4K4
SCHEMBL2719382 0.91 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2717381 0.90 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CAMAP4K4
SCHEMBL2721475 0.88 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2717260 0.87 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CAMAP4K4
SCHEMBL4096955 0.85 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAMAP4K4
SCHEMBL2718894 0.84 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2721364 0.84 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2720617 0.82 PIK3CD (0.44) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL4093051 0.82 PIK3CD (0.57) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP claimed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO claimed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed