SCHEMBL9956872

SCHEMBL9956872

CC(C)(C)N(c1ccncc1)c1nccc(-c2cnc(N)nc2CC2CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.63
PIK3CD O00329 10/20 0.63
PIK3CA P42336 4/20 0.63
PIK3CG P48736 4/20 0.63
PI4KB Q9UBF8 3/20 0.63
PIP5K1C O60331 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3R4 Q99570 1/20 0.41
PIP5K1A Q99755 1/20 0.41
CDK1 P06493 1/20 0.31

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
SCHEMBL9956986 0.86 PIK3C3 (0.64) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957067 0.86 PIK3C3 (0.58) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956996 0.84 PIK3C3 (0.61) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956399 0.84 PIK3C3 (0.60) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957036 0.83 PIK3C3 (0.62) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957642 0.82 PIK3C3 (0.58) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957760 0.82 PIK3C3 (0.60) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957051 0.81 PIK3C3 (0.57) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957062 0.79 PIK3C3 (0.57) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957571 0.79 PIK3C3 (0.57) 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