SCHEMBL6894091

SCHEMBL6894091

CCc1ncnc(-c2ccc(C(=O)N3CCCC3)c(C)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
SCHEMBL6893438 0.94 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10129500 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6893369 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10129579 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892508 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10129572 0.92 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6893363 0.92 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10129550 0.92 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL10129498 0.92 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892911 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed