SCHEMBL6894322

SCHEMBL6894322

C=C(N)/C=C\C(=C/N)c1c(CC)ncnc1-c1cc(F)c(C(=O)N2CCN(C3CCCC3O)CC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
MTOR P42345 20/20 0.62

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
SCHEMBL6894882 0.95 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL6894207 0.92 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL6894247 0.88 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL6893597 0.88 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL6893303 0.86 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL6890824 0.86 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL6893016 0.85 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL6894794 0.84 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL6893478 0.84 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL6894871 0.84 PIK3CA (0.60) 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