SCHEMBL1695013

SCHEMBL1695013

CC1(C)CCC(NC(=O)c2cc3cccc(Cl)c3nc2CCNc2ncnc(N)c2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.41
PIK3R2 O00459 13/20 0.38
PIK3CD O00329 9/20 0.35
PIK3CG P48736 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSS P25774 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL1695362 0.93 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CGKDM4EPOLB
SCHEMBL1695242 0.86 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CG
SCHEMBL1695135 0.85 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1694990 0.85 PTGES (0.38) PTGESPIK3R2PIK3CDPIK3CGCTSS
SCHEMBL1694949 0.84 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CG
SCHEMBL1695420 0.84 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL14815987 0.84 PIK3R2 (0.47) PIK3R2PIK3CDPIK3CG
SCHEMBL1695012 0.84 PIK3R2 (0.47) PIK3R2PIK3CDPIK3CG
SCHEMBL1695343 0.83 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL1695024 0.81 CNR2 (0.40) PTGES

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