SCHEMBL16390656

SCHEMBL16390656

CNc1ncc(-c2ccnc(NC3CCCC3)n2)c(CC2CC2)n1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 17/20 0.98
▸ PIK3CD O00329 10/20 0.82
▸ PIK3CA P42336 4/20 0.82
▸ PIK3CG P48736 4/20 0.82
▸ PI4KB Q9UBF8 3/20 0.82
▸ CDK1 P06493 3/20 0.53
▸ CDK4 P11802 3/20 0.53
▸ CCNB1 P14635 3/20 0.53
▸ CCNA2 P20248 3/20 0.53
▸ CCND1 P24385 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CCNA1 P78396 3/20 0.53
▸ PIP5K1C O60331 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PIK3R4 Q99570 1/20 0.49
▸ PIP5K1A Q99755 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ CDK6 Q00534 1/20 0.49

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
SCHEMBL15754843 0.99 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390779 0.98 PIK3C3 (0.94) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390922 0.90 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390818 0.90 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957886 0.90 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390650 0.89 PIK3C3 (0.79) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390652 0.89 PIK3C3 (0.78) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390653 0.89 PIK3C3 (0.78) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL10089562 0.86 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390921 0.82 PIK3C3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 — — EP disclosed
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