SCHEMBL6890888

SCHEMBL6890888

CCNC(=O)c1cc(-c2ncnc(CC)c2C#Cc2ccc(N)nc2)ccc1Cl

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.85
MTOR P42345 20/20 0.85

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
SCHEMBL6893200 0.92 MTOR (1.00) PIK3CAMTOR
SCHEMBL6892768 0.86 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10128568 0.86 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6891605 0.85 MTOR (1.00) PIK3CAMTOR
SCHEMBL12136347 0.84 MTOR (0.61) PIK3CAMTOR
SCHEMBL6892147 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL517493 0.83 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL516499 0.83 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL6894211 0.83 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6893309 0.81 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-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed