SCHEMBL6893552

SCHEMBL6893552

CCc1ncnc(-c2ccc(C(=O)N3CCn4cnnc4C3)c(F)c2)c1-c1ccc(N)nc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.78
MTOR P42345 20/20 0.78

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
SCHEMBL6891388 0.92 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL10158447 0.89 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL6894314 0.88 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL10129917 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10158764 0.85 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10157849 0.84 MTOR (0.75) PIK3CAMTOR
SCHEMBL10158654 0.84 MTOR (0.75) PIK3CAMTOR
SCHEMBL10158086 0.84 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL10158327 0.84 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL10157659 0.83 PIK3CA (0.75) 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