SCHEMBL1695343

SCHEMBL1695343

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 14/20 0.41
MAP4K4 O95819 1/20 0.38
PIK3CD O00329 7/20 0.38
PIK3CG P48736 5/20 0.38
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
EGFR P00533 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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 0.92 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1695242 0.90 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1694949 0.89 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CGEGFRPIK3CA
SCHEMBL1695309 0.89 MAPK8 (0.43) PIK3R2PIK3CDPIK3CGEGFR
SCHEMBL1694834 0.89 PIK3R2 (0.40) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1694990 0.89 PTGES (0.38) PIK3R2MAP4K4PIK3CDPIK3CG
SCHEMBL1695420 0.87 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1695362 0.87 PIK3R2 (0.41) PIK3R2MAP4K4PIK3CDPIK3CG
SCHEMBL1694771 0.87 HPGD (0.44) PIK3CD
SCHEMBL1695024 0.85 CNR2 (0.40)

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