SCHEMBL6896042

SCHEMBL6896042

CCc1ncnc(N2CCNCC2)c1-c1ccc(N)nc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.50
MTOR P42345 20/20 0.50

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
SCHEMBL6896696 0.89 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL10197834 0.89 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL10195797 0.87 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL10195796 0.86 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL10195415 0.86 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL6896098 0.85 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL10196533 0.85 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL10195812 0.85 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL10195798 0.85 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL10195401 0.84 PIK3CA (0.67) 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-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed