SCHEMBL1695147

SCHEMBL1695147

N#Cc1c(N)ncnc1NCCc1nc2cccc(F)c2cc1C(=O)NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
PDE4D Q08499 2/20 0.40
PIK3CD O00329 10/20 0.38
PIK3CB P42338 10/20 0.38
PIK3CG P48736 10/20 0.38
PIK3CA P42336 8/20 0.38
PIK3R2 O00459 1/20 0.38
MAP4K4 O95819 2/20 0.37
CYP3A4 P08684 3/20 0.37
ADORA1 P30542 2/20 0.37
MCHR1 Q99705 1/20 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
SCHEMBL1695256 0.90 PIK3CD (0.40) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695471 0.90 PIK3CD (0.38) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695017 0.89 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695305 0.88 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695234 0.88 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695022 0.87 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695332 0.86 CNR2 (0.40) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695223 0.86 MAPK8 (0.43) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1694861 0.85 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1694838 0.83 KDM4E (0.42) PIK3CDPIK3CBPIK3CGPIK3CAADORA1

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