SCHEMBL249677

SCHEMBL249677

CCCCc1nc2cc(F)ccc2cc1CCNc1ncnc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP4K4 O95819 3/20 0.35
MPO P05164 2/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
HSD17B10 Q99714 4/20 0.34
ALOX15 P16050 2/20 0.34
GFER P55789 2/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 6/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL250361 0.97 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL249910 0.96 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL246483 0.94 MAP4K4 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL249334 0.90 IP6K1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL249625 0.89 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL249593 0.88 HTT (0.34) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL248515 0.87 HTT (0.34) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL248495 0.87 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL247399 0.86 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL248767 0.86 PIK3CD (0.37) 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