SCHEMBL17387481

SCHEMBL17387481

CCc1nccc(-c2ccc(C(O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.75
PIK3CA P42336 6/20 0.60

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
SCHEMBL695367 0.85 MTOR (1.00) MTORPIK3CA
SCHEMBL694399 0.76 MTOR (1.00) MTORPIK3CA
SCHEMBL6891649 0.75 MTOR (1.00) MTORPIK3CA
SCHEMBL7875275 0.75 MTOR (1.00) MTORPIK3CA
SCHEMBL6893281 0.75 PIK3CA (1.00) MTORPIK3CA
SCHEMBL696110 0.74 MTOR (0.76) MTORPIK3CA
SCHEMBL695485 0.72 MTOR (0.74) MTORPIK3CA
SCHEMBL695610 0.72 MTOR (1.00) MTORPIK3CA
SCHEMBL12774598 0.72 MTOR (0.77) MTORPIK3CA
SCHEMBL7876827 0.72 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP claimed