SCHEMBL248315

SCHEMBL248315

CC[C@H](C)Cc1nc2cc(F)ccc2cc1CCNc1ncnc2[nH]cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAP4K4 O95819 3/20 0.34
HTT P42858 7/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 4/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NR2F2 P24468 1/20 0.33
LMNA P02545 2/20 0.32
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IP6K1 Q92551 1/20 0.30
AURKA O14965 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
SCHEMBL248767 1.00 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL248495 0.92 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL246483 0.88 MAP4K4 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL249677 0.86 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL250361 0.85 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL248986 0.85 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL248515 0.85 HTT (0.34) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL249910 0.85 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL249625 0.84 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL247399 0.84 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4

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