SCHEMBL249593

SCHEMBL249593

Fc1ccc2cc(CCNc3ncnc4[nH]cnc34)c(CCCCC(F)(F)F)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.34
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPK1 P28482 4/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GFER P55789 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 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

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 0.89 PIK3CD (0.38) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL249910 0.88 PIK3CD (0.37) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL249625 0.88 PIK3CD (0.35) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL249677 0.88 PIK3CD (0.36) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL246483 0.86 MAP4K4 (0.38) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL249334 0.86 IP6K1 (0.39) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL248311 0.85 MAP4K4 (0.38) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL248495 0.83 PIK3CD (0.38) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL248515 0.81 HTT (0.34) HTTLMNASMN1; SMN2MAPK1PIK3CD
SCHEMBL3415150 0.81 PIK3CD (0.46) 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