SCHEMBL6896166

SCHEMBL6896166

C/C=C(\O)CC1CCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.74
MTOR P42345 20/20 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
SCHEMBL503471 0.89 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL6894170 0.89 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL503221 0.87 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL503372 0.86 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL6896213 0.85 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6896254 0.85 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10160054 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6894348 0.83 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6896133 0.83 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6896735 0.83 PIK3CA (1.00) 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
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed