SCHEMBL3718841

SCHEMBL3718841

CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc5c(c(N6C7CCC6COC7)n4)CCC5)cc3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.71
MTOR P42345 15/20 0.71
PIK3CG P48736 3/20 0.66

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
SCHEMBL3721051 0.92 MTOR (0.71) PIK3CAMTORPIK3CG
SCHEMBL3721353 0.91 PIK3CA (0.70) PIK3CAMTORPIK3CG
SCHEMBL3720902 0.87 PIK3CA (0.65) PIK3CAMTORPIK3CG
SCHEMBL628414 0.87 MTOR (0.79) PIK3CAMTORPIK3CG
SCHEMBL3719804 0.86 MTOR (0.57) PIK3CAMTORPIK3CG
SCHEMBL3727473 0.85 PIK3CA (0.59) PIK3CAMTORPIK3CG
SCHEMBL1409226 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CG
SCHEMBL627945 0.82 PIK3CA (0.81) PIK3CAMTORPIK3CG
SCHEMBL3722519 0.81 MTOR (0.62) PIK3CAMTORPIK3CG
SCHEMBL1431244 0.81 PIK3CA (0.91) PIK3CAMTORPIK3CG

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
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed