SCHEMBL5733009

SCHEMBL5733009

CC(C)(C)OC(=O)C(N)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
ABCB1 P08183 11/20 0.39
GPR119 Q8TDV5 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HTT P42858 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL6210819 0.86 LMNA (0.38) ABCB1
SCHEMBL852056 0.84 PARP15 (0.44) GPR119PRSS1CTSGCTRB1CMA1
SCHEMBL1147769 0.82 PRSS1 (0.38) ABCB1GPR119ADRB2ADRB1ADRB3
SCHEMBL14448526 0.82 HTT (0.47) GSK3BADRB2ADRB1ADRB3HTT
SCHEMBL9995953 0.80 MIF (0.40) ADRB2ADRB1ADRB3MAPT
SCHEMBL2357009 0.80 LMNA (0.37) ADRB2ADRB1ADRB3HTTKDM4E
SCHEMBL7448758 0.80 KMT2A (0.39) HTTMAPTL3MBTL1
SCHEMBL5414405 0.80 MIF (0.40) ADRB2ADRB1ADRB3MAPT
SCHEMBL1039225 0.80 ALOX5 (0.39) GPR119L3MBTL1
SCHEMBL5414409 0.80 MIF (0.40) ADRB2ADRB1ADRB3MAPT

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-1720882-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077954-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-08-25 WO disclosed