SCHEMBL3723367

SCHEMBL3723367

C[C@@H]1COCCN1c1cc(N2CCOC[C@H]2C)nc(-c2ccc(NC(=O)Nc3cccnc3)cc2)n1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.84
MTOR P42345 7/20 0.63
PIK3R1 P27986 1/20 0.63
PIK3CG P48736 3/20 0.62
PIK3CD O00329 4/20 0.61
CHEK1 O14757 1/20 0.55
ATR Q13535 1/20 0.55
PDCD1 Q15116 1/20 0.55
ATRIP Q8WXE1 1/20 0.55
CD274 Q9NZQ7 1/20 0.55

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
SCHEMBL629424 0.93 PIK3CA (0.73) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL32575 0.91 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL32574 0.91 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL3727351 0.91 PIK3CA (0.76) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL3722450 0.89 PIK3CA (0.83) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL2369788 0.85 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CDCHEK1
SCHEMBL2369779 0.85 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CDCHEK1
SCHEMBL442108 0.85 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL1409574 0.84 PIK3CA (0.85) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL32285 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CD

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-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO claimed
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed