SCHEMBL1695309

SCHEMBL1695309

N#Cc1c(N)ncnc1NCCc1nc2c(Cl)cccc2cc1C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.43
MAPK9 P45984 4/20 0.43
MAPK10 P53779 2/20 0.43
PIK3R2 O00459 4/20 0.40
PIK3CD O00329 3/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
RPS27 P42677 1/20 0.40
AURKA O14965 4/20 0.40
RPS6KB1 P23443 3/20 0.40
AURKB Q96GD4 2/20 0.40
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
CYP2D6 P10635 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PIK3CG P48736 1/20 0.36
MMP13 P45452 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL1695135 0.90 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1694771 0.90 HPGD (0.44) PIK3CDAURKARPS6KB1
SCHEMBL1695343 0.89 PIK3R2 (0.41) PIK3R2PIK3CDEGFRPIK3CG
SCHEMBL1695242 0.89 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CG
SCHEMBL1694949 0.89 PIK3R2 (0.39) PIK3R2PIK3CDEGFRERBB2PIK3CG
SCHEMBL1694990 0.86 PTGES (0.38) PIK3R2PIK3CDPIK3CG
SCHEMBL1695420 0.85 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL1695362 0.85 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL1694834 0.85 PIK3R2 (0.40) MAPK8MAPK9MAPK10PIK3R2PIK3CD
SCHEMBL1695407 0.84 PIK3R2 (0.37) PIK3R2PIK3CDPIK3CG

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-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed