SCHEMBL6891630

SCHEMBL6891630

CCc1ncnc(-c2ccc(C(=O)N3CCCC3)c(OC)c2)c1C#Cc1ccc(N)nc1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.88
MTOR P42345 20/20 0.88

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
SCHEMBL6894108 0.94 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6891424 0.94 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6890767 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL17929102 0.93 PIK3CA (0.84) PIK3CAMTOR
SCHEMBL6894266 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6894007 0.92 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6893411 0.92 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892219 0.92 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL17929110 0.91 PIK3CA (0.84) PIK3CAMTOR
SCHEMBL6893219 0.91 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