SCHEMBL1694753

SCHEMBL1694753

N#Cc1c(N)ncnc1NCCc1nc2c(F)cccc2cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 4/20 0.39
PIK3CD O00329 14/20 0.37
PIK3CB P42338 10/20 0.37
PIK3CG P48736 10/20 0.37
PIK3CA P42336 9/20 0.37
CYP3A4 P08684 4/20 0.37
PIK3R1 P27986 2/20 0.36
LRRK2 Q5S007 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 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
SCHEMBL1695139 0.90 PIK3R2 (0.45) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1694949 0.89 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1694831 0.89 PIK3CD (0.43) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1694728 0.88 CDK1 (0.42) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1694730 0.87 CDK1 (0.43) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1695256 0.87 PIK3CD (0.40) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1695297 0.86 ADORA2A (0.39) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1695191 0.86 PIK3CD (0.40) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1694917 0.86 CDK1 (0.45) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1694805 0.86 PIK3CA (0.45) PIK3R2PIK3CDPIK3CBPIK3CGPIK3CA

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