SCHEMBL27879656

SCHEMBL27879656

Cc1nc(-c2cc(Cc3ccc(C[SH](=O)=O)cc3)cnc2Nc2ccc(N)nc2)c2nc[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.61
MTOR P42345 9/20 0.61
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44

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
SCHEMBL27863336 0.89 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL116045 0.87 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL115353 0.81 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14806834 0.79 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27863274 0.78 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114134 0.77 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL114570 0.76 PIK3CA (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL113887 0.74 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL113600 0.73 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL114911 0.72 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed