SCHEMBL249789

SCHEMBL249789

Fc1ccc2cc(CCNc3ncnc4[nH]cnc34)c(C3CC3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.35
HTT P42858 6/20 0.34
PIK3CG P48736 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
LRRK2 Q5S007 2/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL248311 0.84 MAP4K4 (0.38) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL248986 0.82 PIK3CD (0.40) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL246483 0.82 MAP4K4 (0.38) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL249677 0.80 PIK3CD (0.36) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL248495 0.80 PIK3CD (0.38) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL249625 0.80 PIK3CD (0.35) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL250361 0.79 PIK3CD (0.38) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL249910 0.79 PIK3CD (0.37) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL248515 0.79 HTT (0.34) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1
SCHEMBL17240937 0.79 PIK3CG (0.52) MAP4K4HTTPIK3CGSMN1; SMN2MAPK1

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