SCHEMBL6891045

SCHEMBL6891045

CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CNC4)c(Cl)c2)c1-c1ccc(N)nc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.77
MTOR P42345 20/20 0.77

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
SCHEMBL10158760 0.92 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL6892537 0.90 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10158772 0.90 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10158022 0.89 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL10158063 0.89 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL10157491 0.88 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL10156925 0.88 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10156692 0.87 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL10129938 0.87 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10158213 0.87 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