SCHEMBL696358

SCHEMBL696358

CCc1nccc(-c2ccc(C(=O)N3CCN(CC=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.86

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
SCHEMBL693910 0.92 MTOR (1.00) MTOR
SCHEMBL7875318 0.91 MTOR (1.00) MTOR
SCHEMBL695814 0.90 MTOR (1.00) MTOR
SCHEMBL696357 0.90 MTOR (1.00) MTOR
SCHEMBL7876954 0.89 MTOR (1.00) MTOR
SCHEMBL7877384 0.88 MTOR (1.00) MTOR
SCHEMBL7880608 0.88 MTOR (1.00) MTOR
SCHEMBL7873087 0.88 MTOR (1.00) MTOR
SCHEMBL12728146 0.88 MTOR (1.00) MTOR
SCHEMBL695193 0.88 MTOR (1.00) MTOR

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
EP-2421846-A1 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed