SCHEMBL4121103

SCHEMBL4121103

Cc1c(OCc2cccnc2)nc(N2CCOCC2)nc1-c1cnc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.53
▸ PIK3R1 P27986 8/20 0.53
▸ PIK3CD O00329 4/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ PRKDC P78527 2/20 0.47
▸ MTOR P42345 4/20 0.46
▸ P2RY12 Q9H244 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ JAK3 P52333 1/20 0.45

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
SCHEMBL13848204 0.80 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL10327870 0.77 PIK3CA (0.68) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL25617735 0.73 PIK3CA (0.63) PIK3CAPIK3R1PRKDC
SCHEMBL31547941 0.73 PIK3CA (0.63) PIK3CAPIK3R1PRKDC
SCHEMBL1569347 0.73 PIK3CA (0.59) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL24099574 0.72 PIK3CA (0.57) PIK3CAPIK3R1
SCHEMBL13848159 0.72 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1309913 0.72 RAD52 (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL31547982 0.72 PIK3CA (0.57) PIK3CAPIK3R1
SCHEMBL13848119 0.72 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 — — WO disclosed
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 — — WO disclosed
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