SCHEMBL19241985

SCHEMBL19241985

Cc1ncc(C#Cc2c(C)ncnc2Cl)cc1N[S+]([O-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.43
MTOR P42345 1/20 0.36

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
SCHEMBL19242013 0.81 PIK3CA (0.66) PIK3CA
SCHEMBL19241757 0.78 PIK3CA (0.68) PIK3CA
SCHEMBL19241865 0.77 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL19242039 0.77 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL19241764 0.77 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL19241893 0.77 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL19242020 0.76 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL19241872 0.76 PIK3CA (0.69) PIK3CA
SCHEMBL12466497 0.76 PIK3CA (0.71) PIK3CA
SCHEMBL19242038 0.75 PIK3CA (0.70) 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
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed