SCHEMBL3132745

SCHEMBL3132745

O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1)OCCO

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.73
MTOR P42345 20/20 0.73

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
SCHEMBL3128039 0.88 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL3119568 0.87 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3133386 0.86 PIK3CA (0.83) PIK3CAMTOR
SCHEMBL3480028 0.85 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL3128114 0.85 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL3130047 0.85 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL3132760 0.84 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL3128416 0.83 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL4990174 0.82 MTOR (0.77) PIK3CAMTOR
SCHEMBL3132298 0.81 MTOR (0.78) PIK3CAMTOR

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-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 WO claimed