SCHEMBL4072220

SCHEMBL4072220

OCCc1cc2nc(Cl)nc(N3CCOCC3)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
PIK3CA P42336 12/20 0.40
PIK3R1 P27986 9/20 0.40
PIK3CD O00329 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTOR P42345 5/20 0.37
POLB P06746 2/20 0.36
SLC29A1 Q99808 1/20 0.36
PIK3CB P42338 2/20 0.35
PARP1 P09874 1/20 0.34
PIK3CG P48736 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL23804692 0.90 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CAPIK3R1PIK3CDKDM4E
SCHEMBL23804721 0.84 SMN1; SMN2 (0.46) SMN1; SMN2PIK3CAPIK3R1PIK3CDKDM4E
SCHEMBL24711007 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PIK3CAPIK3R1PIK3CDKDM4E
SCHEMBL30151166 0.79 PIK3CA (0.44) SMN1; SMN2PIK3CAPIK3R1PIK3CDALDH1A1
SCHEMBL12727282 0.79 PIK3CA (0.46) SMN1; SMN2PIK3CAPIK3R1PIK3CDALDH1A1
SCHEMBL1180841 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PIK3CAKDM4EMAPK1ALDH1A1
SCHEMBL14385000 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPK1ALDH1A1GAA
SCHEMBL4076548 0.78 PIK3CA (0.60) SMN1; SMN2PIK3CAPIK3R1PIK3CDMTOR
SCHEMBL23804768 0.77 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CAPIK3R1KDM4EMAPK1
SCHEMBL2674386 0.77 HRH3 (0.41) SMN1; SMN2PIK3CAPIK3R1PIK3CDKDM4E

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-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed