SCHEMBL8082001

SCHEMBL8082001

CCCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)CCO)CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.42
KDR P35968 1/20 0.40
PIK3CA P42336 8/20 0.40
MTOR P42345 3/20 0.40
PIK3CG P48736 2/20 0.39
PIK3CB P42338 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIT P10721 1/20 0.37
RXRA P19793 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL8093344 0.91 PIK3CD (0.40) PIK3CDKDRPIK3CAMTORPIK3CG
SCHEMBL8096016 0.87 PIK3CD (0.43) PIK3CDKDRPIK3CAMTORPIK3CG
SCHEMBL8106273 0.87 PIK3CD (0.43) PIK3CDKDRPIK3CAMTORPIK3CG
SCHEMBL8088889 0.86 PIK3CD (0.44) PIK3CDKDRPIK3CAMTORPIK3CG
SCHEMBL8099345 0.86 PIK3CD (0.44) PIK3CDKDRPIK3CAMTORPIK3CG
SCHEMBL8084009 0.86 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8092385 0.85 PIK3CD (0.41) PIK3CDKDRPIK3CAMTORPIK3CG
SCHEMBL8090864 0.85 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8083655 0.85 NAMPT (0.43) PIK3CDKDRPIK3CAMEN1KMT2A
SCHEMBL8097652 0.84 PIK3CD (0.38) PIK3CDKDRPIK3CAMTORPIK3CG

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