SCHEMBL12458071

SCHEMBL12458071

Cc1nc(N)nc2c1cc(-c1ccoc1)c(=O)n2C(C)C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.64
MTOR P42345 8/20 0.64

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
SCHEMBL188488 0.81 ALDH1A1 (0.46) PIK3CAMTOR
SCHEMBL1899134 0.81 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL1983390 0.79 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL1982110 0.78 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL3329395 0.78 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL2006204 0.77 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL6128255 0.76 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL1900964 0.76 MTOR (0.69) PIK3CAMTOR
SCHEMBL188507 0.76 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL1987460 0.76 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012149308-A1 METHOD OF TREATING LYMPHOMA USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K/MTOR EXELIXIS, INC. (US) 2012-11-01 WO disclosed
WO-2011100319-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K AND MTOR IN COMBINATION WITH AUTOPHAGY INHIBITORS EXELIXIS, INC. (US) 2011-08-18 WO disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed