SCHEMBL8091862

SCHEMBL8091862

C=C(/C=C\C=C/N)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CCCC4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
NAMPT P43490 1/20 0.31

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
SCHEMBL8095727 0.83 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096200 0.81 EPHX1 (0.47)
SCHEMBL8093447 0.79 MTOR (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8081909 0.79 CA12 (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091695 0.79 CA12 (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8098310 0.78 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091758 0.78 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8082039 0.78 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8095771 0.78 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8098257 0.78 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed