SCHEMBL8213772

SCHEMBL8213772

CNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(C)(=O)=O)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.38
PIK3CA P42336 4/20 0.38
ABL1 P00519 2/20 0.37
F10 P00742 2/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K1 Q92918 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL8216527 0.89 PIK3CD (0.37) PIK3CDPIK3CAF10
SCHEMBL8213775 0.89 PIK3CD (0.49) PIK3CDPIK3CAABL1
SCHEMBL8214220 0.85 PIK3CA (0.48) PIK3CDPIK3CAPIP4K2APIP4K2BALDH1A1
SCHEMBL11925415 0.83 MAPK1 (0.45) PIK3CDPIK3CAABL1
SCHEMBL8218812 0.82 PORCN (0.38) PIK3CDPIK3CAF10ALDH1A1
SCHEMBL8213343 0.81 PIK3R1 (0.40) PIK3CDPIK3CA
SCHEMBL8212628 0.79 PIK3CA (0.35) PIK3CDPIK3CAALDH1A1KMT2A
SCHEMBL3605074 0.77 PIK3CA (0.67) PIK3CDPIK3CA
SCHEMBL8204669 0.76 KMT2A (0.45) PIK3CDPIK3CAPIP4K2APIP4K2BALDH1A1
SCHEMBL8206578 0.76 PIK3CD (0.46) PIK3CDPIK3CAALDH1A1KMT2A

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