SCHEMBL3314799

SCHEMBL3314799

C=C(/C=C(\C)c1cnc(N2CCOCC2)nc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12)NS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.53
PIK3CA P42336 18/20 0.43
PIK3CB P42338 4/20 0.36
PIK3CG P48736 3/20 0.36
PIK3R1 P27986 1/20 0.35
SMO Q99835 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
SCHEMBL242110 0.85 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL243232 0.82 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL241524 0.80 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL242377 0.76 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL243055 0.76 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL244881 0.74 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711307 0.73 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711501 0.73 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711703 0.72 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL14849163 0.72 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed