SCHEMBL13674696

SCHEMBL13674696

Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2ncn(CC3CC3)c2n1.O=C(O)OC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 17/20 0.51
▸ MTOR P42345 11/20 0.51
▸ HDAC1 Q13547 8/20 0.49
▸ PIK3CG P48736 7/20 0.49
▸ PIK3R1 P27986 7/20 0.49
▸ PIK3CD O00329 5/20 0.49
▸ PIK3CB P42338 5/20 0.49
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ STAT3 P40763 1/20 0.41

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
SCHEMBL2877565 0.90 PIK3CA (0.60) PIK3CAMTORHDAC1PIK3CGPIK3R1
Bicarbonate SCHEMBL13674694 0.86 PIK3CA (0.47) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL13674729 0.85 PIK3CA (0.56) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL2864746 0.84 PIK3CA (0.57) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL364150 0.81 PIK3CA (0.43) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL336204 0.81 PIK3CA (0.67) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL799244 0.81 MTOR (0.47) PIK3CAMTORHDAC1PIK3CGPIK3R1
Bicarbonate SCHEMBL366205 0.81 PIK3CA (0.44) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL27813714 0.79 PIK3CA (0.57) PIK3CAMTORHDAC1PIK3CGPIK3R1
SCHEMBL10263292 0.79 PIK3CA (0.62) PIK3CAMTORHDAC1PIK3CGPIK3R1

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-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 — — EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 — — US disclosed
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