SCHEMBL6891652

SCHEMBL6891652

CCc1ncnc(-c2cc(Cl)c(C(=O)N3CC[C@@H](N(C)C)C3)c(Cl)c2)c1-c1ccc(N)nc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.75
MTOR P42345 20/20 0.75

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
SCHEMBL10156773 0.91 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10157521 0.87 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL10158320 0.86 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL10129741 0.86 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6891439 0.86 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL10157492 0.85 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10156958 0.85 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10158394 0.85 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10158423 0.85 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10157735 0.85 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