SCHEMBL8214715

SCHEMBL8214715

Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(C)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.80
MTOR P42345 3/20 0.55

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
SCHEMBL8212762 1.00 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL14306580 0.95 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL1993484 0.90 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL1899656 0.90 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL1983182 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1982364 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1982366 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL8205591 0.89 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL1983272 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1984579 0.87 PIK3CA (1.00) 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