SCHEMBL248722

SCHEMBL248722

Fc1cccc(-c2nc3sccc3cc2CCNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.39
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36

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
SCHEMBL4433351 0.84 MAP4K4 (0.41) MAP4K4AURKAAURKBJAK2JAK3
SCHEMBL4435767 0.83 MAP4K4 (0.40) MAP4K4AURKAAURKBJAK2JAK3
SCHEMBL247287 0.82 HTT (0.41) JAK2RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4437114 0.80 MAP4K4 (0.41) MAP4K4AURKAAURKBJAK2JAK3
SCHEMBL248721 0.79 PIK3CD (0.46) MAP4K4PIK3CD
SCHEMBL4436316 0.78 MAP4K4 (0.39) MAP4K4AURKAAURKBJAK2JAK3
SCHEMBL16799113 0.78 LMNA (0.39) MAP4K4AURKAAURKBJAK2JAK3
SCHEMBL4434824 0.77 LMNA (0.42) MAP4K4AURKAAURKBJAK3PRKD3
SCHEMBL2015901 0.75 MAPK1 (0.48) MAP4K4AURKAAURKBJAK2JAK3
SCHEMBL4435013 0.75 PIK3CD (0.37) MAP4K4AURKAAURKBJAK2JAK3

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-2588468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003262-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed