SCHEMBL247399

SCHEMBL247399

CCN(C)Cc1nc2cc(F)ccc2cc1CCNc1ncnc2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.33
MAP4K4 O95819 3/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 7/20 0.32
HTR2A P28223 2/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPK1 P28482 4/20 0.32
MAPT P10636 3/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IP6K1 Q92551 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL246483 0.88 MAP4K4 (0.38) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL249677 0.86 PIK3CD (0.36) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL250361 0.85 PIK3CD (0.38) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL249910 0.85 PIK3CD (0.37) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL248515 0.85 HTT (0.34) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL249625 0.84 PIK3CD (0.35) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL248495 0.84 PIK3CD (0.38) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL248767 0.84 PIK3CD (0.37) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL248315 0.84 PIK3CD (0.37) PIK3CDMAP4K4PIK3CAPIK3CBPIK3CG
SCHEMBL249334 0.82 IP6K1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed