SCHEMBL8211601

SCHEMBL8211601

CCCNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.48
MTOR P42345 3/20 0.48
PIK3CD O00329 4/20 0.44
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
NAMPT P43490 2/20 0.42
MMP2 P08253 1/20 0.41
GHSR Q92847 1/20 0.40
KDM1A O60341 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RORC P51449 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL8219760 0.93 PIK3CA (0.51) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL8222644 0.90 PIK3CA (0.51) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL11925678 0.90 PIK3CA (0.45) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL8218182 0.89 PIK3CA (0.51) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL8217566 0.88 PIK3CA (0.47) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL8215121 0.86 PIK3CA (0.56) PIK3CAMTORPIK3CDGHSRMEN1
SCHEMBL8211599 0.86 PIK3CA (0.49) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL8098332 0.85 PIK3CA (0.48) PIK3CAMTORPIK3CDNAMPTGHSR
SCHEMBL8215433 0.84 MTOR (0.49) PIK3CAMTORCA2CA9CA12
SCHEMBL8221081 0.84 PIK3CA (0.47) PIK3CAMTORPIK3CDCA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed