SCHEMBL6892866

SCHEMBL6892866

C=C(N)/C=C\C(C#Cc1c(CC)ncnc1-c1ccc(C(=O)N(C)CCN2CCCC2=O)c(OC)c1)=C/N

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.72
MTOR P42345 20/20 0.72

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
SCHEMBL6892839 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6891760 0.79 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL10158332 0.77 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL6893947 0.76 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL10129509 0.75 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6892691 0.74 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10129453 0.74 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6894867 0.71 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL6893229 0.71 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL6893711 0.70 PIK3CA (0.69) 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