SCHEMBL9957844

SCHEMBL9957844

Nc1ccc(Nc2nccc(-c3cnc(N)nc3CC3CC3)n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.83
PIK3CD O00329 10/20 0.83
PIK3CA P42336 4/20 0.83
PIK3CG P48736 4/20 0.83
PI4KB Q9UBF8 3/20 0.83
PIP5K1C O60331 1/20 0.50
PIK3CB P42338 1/20 0.50
PI4KA P42356 1/20 0.50
PIK3R4 Q99570 1/20 0.50
PIP5K1A Q99755 1/20 0.50
AURKA O14965 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL9957746 0.91 PIK3C3 (0.80) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956079 0.91 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL15763770 0.91 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957057 0.88 PIK3C3 (0.76) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956225 0.87 PIK3C3 (0.73) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9959843 0.83 PIK3C3 (0.67) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956410 0.82 PIK3C3 (0.70) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9960350 0.81 PIK3C3 (0.65) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957692 0.81 PIK3C3 (0.67) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956363 0.81 PIK3C3 (0.67) 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