SCHEMBL4279045

SCHEMBL4279045

CN(C(=O)C1CCN(c2ccnc3c2c(C=C2Oc4ccc(NC(=O)Nc5cccnc5)cc4C2=O)cn3C)CC1)[C@H]1CCNC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.82
PIK3CA P42336 18/20 0.82

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
SCHEMBL4390251 1.00 MTOR (0.82) MTORPIK3CA
SCHEMBL4280382 1.00 MTOR (0.82) MTORPIK3CA
SCHEMBL4390421 0.92 MTOR (0.87) MTORPIK3CA
SCHEMBL4390423 0.92 MTOR (0.87) MTORPIK3CA
SCHEMBL4288312 0.91 MTOR (0.85) MTORPIK3CA
SCHEMBL4383560 0.91 MTOR (0.85) MTORPIK3CA
SCHEMBL4284596 0.91 MTOR (0.84) MTORPIK3CA
SCHEMBL4379987 0.91 MTOR (0.84) MTORPIK3CA
SCHEMBL4380269 0.91 MTOR (1.00) MTORPIK3CA
SCHEMBL4282072 0.91 MTOR (1.00) 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 2 patents. 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
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 disclosed