SCHEMBL3722148

SCHEMBL3722148

C[C@@H]1COCCN1c1cc(C2CCOCC2)nc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.78
MTOR P42345 6/20 0.57
PIK3R1 P27986 2/20 0.54
PIK3CD O00329 1/20 0.51

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
SCHEMBL3723370 0.91 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL32396 0.88 PIK3CA (1.00) PIK3CAMTORPIK3R1
SCHEMBL32395 0.88 PIK3CA (1.00) PIK3CAMTORPIK3R1
SCHEMBL628159 0.87 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL3720492 0.87 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL32377 0.86 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL32378 0.86 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL628855 0.86 PIK3CA (0.76) PIK3CAMTORPIK3R1
SCHEMBL3730136 0.85 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL3727351 0.84 PIK3CA (0.76) PIK3CAMTORPIK3R1PIK3CD

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