SCHEMBL8202953

SCHEMBL8202953

Cc1nc(N)nc2c1cc(-c1cc[nH]n1)c(=O)n2C1CCC(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.60
MTOR P42345 4/20 0.60

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
SCHEMBL188665 0.92 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL1380996 0.91 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL1380997 0.91 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL13439819 0.91 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL1983756 0.90 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL1983753 0.90 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL1983962 0.85 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL1983966 0.85 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL8212762 0.77 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL8214715 0.77 PIK3CA (0.80) 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-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed