SCHEMBL4424992

SCHEMBL4424992

Cn1cc(/C=C2\Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(N3CC4COC(C4)O3)ccnc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.74
PIK3CA P42336 18/20 0.74

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
SCHEMBL4282061 0.87 MTOR (0.85) MTORPIK3CA
SCHEMBL4382473 0.87 MTOR (0.85) MTORPIK3CA
SCHEMBL4384984 0.86 MTOR (0.90) MTORPIK3CA
SCHEMBL4279043 0.86 MTOR (0.90) MTORPIK3CA
SCHEMBL4380681 0.85 MTOR (1.00) MTORPIK3CA
SCHEMBL4380686 0.85 MTOR (1.00) MTORPIK3CA
SCHEMBL4286637 0.85 MTOR (1.00) MTORPIK3CA
SCHEMBL4393780 0.85 MTOR (1.00) MTORPIK3CA
SCHEMBL4382229 0.84 MTOR (0.86) MTORPIK3CA
SCHEMBL4278458 0.84 MTOR (0.86) MTORPIK3CA

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-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed