SCHEMBL6892917

SCHEMBL6892917

CCc1ncnc(-c2ccc(C(=O)NCC(O)CC(C)(C)N)c(F)c2)c1C#Cc1ccc(N)nc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.80
MTOR P42345 20/20 0.80

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
SCHEMBL10129121 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6893941 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL516781 0.81 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL516795 0.81 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL10129178 0.81 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10129672 0.79 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6890854 0.79 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6894226 0.79 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6894185 0.78 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6894214 0.78 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