SCHEMBL9957262

SCHEMBL9957262

COc1ccc(N(C)c2nccc(-c3cnc(N)nc3CC3CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 13/20 0.52
PIK3CD O00329 6/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CG P48736 3/20 0.52
PI4KB Q9UBF8 2/20 0.52
DYRK1A Q13627 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 2/20 0.37
TUBB3 Q13509 2/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL9956194 0.91 PIK3C3 (0.51) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957888 0.88 PIK3C3 (0.50) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957197 0.88 PIK3C3 (0.55) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956986 0.88 PIK3C3 (0.64) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957577 0.83 PIK3C3 (0.58) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9958044 0.80 PIK3C3 (0.53) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957705 0.78 PIK3C3 (0.56) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957051 0.77 PIK3C3 (0.57) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957686 0.76 PIK3C3 (0.54) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956996 0.76 PIK3C3 (0.61) 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