SCHEMBL6894845

SCHEMBL6894845

CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C[C@@H]3C)c(Cl)c2)c1-c1ccc(N)nc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.76
MTOR P42345 20/20 0.76

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
SCHEMBL6893407 0.88 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL6894378 0.88 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL6893450 0.88 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL6894827 0.88 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL6893013 0.88 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL10130226 0.87 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10156913 0.84 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL6893707 0.84 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL10158229 0.83 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL6893643 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