SCHEMBL1695471

SCHEMBL1695471

N#Cc1c(N)ncnc1NCCc1nc2cccc(F)c2cc1C(=O)NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.38
PIK3CB P42338 9/20 0.38
PIK3CG P48736 9/20 0.38
PIK3CA P42336 8/20 0.38
AR P10275 1/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 2/20 0.38
RPS6KB1 P23443 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PIK3R2 O00459 3/20 0.36
CYP3A4 P08684 3/20 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
SCHEMBL1695332 0.95 CNR2 (0.40) PIK3CDPIK3CBPIK3CGPIK3CACTSS
SCHEMBL1695147 0.90 PDE4B (0.40) PIK3CDPIK3CBPIK3CGPIK3CAADORA1
SCHEMBL1695305 0.90 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695234 0.89 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGPIK3CARPS6KB1
SCHEMBL1695297 0.88 ADORA2A (0.39) PIK3CDPIK3CBPIK3CGPIK3CAAR
SCHEMBL1695256 0.88 PIK3CD (0.40) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695223 0.87 MAPK8 (0.43) PIK3CDPIK3CBPIK3CGPIK3CARPS6KB1
SCHEMBL1695017 0.87 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695201 0.86 PIK3CD (0.40) PIK3CDPIK3CBPIK3CGPIK3CARPS6KB1
SCHEMBL1695022 0.85 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2

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