SCHEMBL8214217

SCHEMBL8214217

CN(C)C(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(C)(=O)=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PIK3CD O00329 9/20 0.44
PIK3CA P42336 7/20 0.44
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL8206578 0.87 PIK3CD (0.46) PIK3CDPIK3CAKDM4EMEN1ALDH1A1
SCHEMBL8214220 0.85 PIK3CA (0.48) PIK3CDPIK3CAKDM4EMEN1ALDH1A1
SCHEMBL8212594 0.83 PIK3CA (0.49) PIK3CDPIK3CA
SCHEMBL8213776 0.83 CA12 (0.48) CA12CA1CA2CA9PIK3CD
SCHEMBL8214526 0.83 PIK3CD (0.61) PIK3CDPIK3CA
SCHEMBL8097366 0.82 PIK3CD (0.47) PIK3CDPIK3CAKDM4EMEN1ALDH1A1
SCHEMBL8216529 0.81 PIK3CD (0.53) PIK3CDPIK3CAMEN1KMT2A
SCHEMBL11926105 0.81 PIK3CD (0.47) CA12CA1CA2CA9PIK3CD
SCHEMBL8216930 0.80 PIK3CD (0.50) CA12CA1CA2CA9PIK3CD
SCHEMBL8095008 0.80 CA1 (0.53) CA12CA1CA2CA9PIK3CD

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed