SCHEMBL9957785

SCHEMBL9957785

CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccc(F)cc3)n2)c(CC2CC2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.83
PIK3CD O00329 10/20 0.83
PIK3CA P42336 4/20 0.76
PIK3CG P48736 4/20 0.76
PI4KB Q9UBF8 3/20 0.76
PIP5K1C O60331 1/20 0.76
PIK3CB P42338 1/20 0.76
PI4KA P42356 1/20 0.76
PIK3R4 Q99570 1/20 0.76
PIP5K1A Q99755 1/20 0.76
PRKD3 O94806 2/20 0.53
MAP4K4 O95819 2/20 0.53
MAPK9 P45984 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
CSNK1G2 P78368 2/20 0.53
MINK1 Q8N4C8 2/20 0.53
MAPK8 P45983 1/20 0.53
GSK3B P49841 1/20 0.53
CSNK1G3 Q9Y6M4 1/20 0.53

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
SCHEMBL9957247 0.91 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957623 0.91 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956230 0.88 PIK3C3 (0.79) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957195 0.88 PIK3C3 (0.79) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957794 0.88 PIK3C3 (0.77) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957245 0.86 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL29394375 0.86 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956997 0.83 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957109 0.81 PIK3C3 (0.70) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957746 0.80 PIK3C3 (0.80) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB

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-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 WO disclosed