SCHEMBL8212643

SCHEMBL8212643

COCCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)[S+](C)[O-])n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NAMPT P43490 2/20 0.40
BDKRB1 P46663 1/20 0.40
APAF1 O14727 1/20 0.39
THRB P10828 1/20 0.39
PABPC1 P11940 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11925701 0.89 PIK3CA (0.41) ALDH1A1KDM4EL3MBTL1PTK2PIK3CA
SCHEMBL11925409 0.89 GHSR (0.45) MAPTMEN1KMT2ANAMPTPIK3CA
SCHEMBL8204518 0.87 PIK3CA (0.46) POLBNAMPTPIK3CAATMMTOR
SCHEMBL8214265 0.85 KDR (0.42) LMNANAMPTMCL1PTK2PIK3CA
SCHEMBL11926845 0.84 F7 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8204521 0.84 PIK3CD (0.49) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL8204574 0.82 KIF11 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8213351 0.79 TSHR (0.46) ALDH1A1NAMPTMAPK1PIK3CAMTOR
SCHEMBL8221056 0.79 PIK3CA (0.39) ALDH1A1KDM4ENAMPTL3MBTL1PIK3CA
SCHEMBL8215181 0.79 NAMPT (0.42) ALDH1A1POLBSMN1; SMN2MAPTKDM4E

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