SCHEMBL1695332

SCHEMBL1695332

N#Cc1c(N)ncnc1NCCc1nc2cccc(F)c2cc1C(=O)NCC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.40
GSK3B P49841 4/20 0.40
KCNH2 Q12809 4/20 0.40
MAPK1 P28482 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CA P42336 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1695471 0.95 PIK3CD (0.38) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695147 0.86 PDE4B (0.40) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695305 0.86 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695234 0.85 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695256 0.84 PIK3CD (0.40) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695223 0.84 MAPK8 (0.43) MAPK1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1695017 0.84 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL10146960 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695329 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695297 0.83 ADORA2A (0.39) PIK3CDPIK3CBPIK3CGPIK3CACTSS

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