SCHEMBL4722310

SCHEMBL4722310

COc1cccc(NC(=O)C(C)(C)C)c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX12 P18054 1/20 0.55
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CETP P11597 1/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL8806924 0.87 CA12 (0.59) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL9872617 0.87 KDM4E (0.56) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL1030263 0.82 LMNA (0.74) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL11463578 0.82 ALDH1A1 (0.48) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4935684 0.81 CA12 (0.50) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL11455556 0.81 ALDH1A1 (0.47) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL18021884 0.80 LMNA (0.58) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL999403 0.79 LMNA (0.55) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL7928023 0.79 LMNA (0.57) LMNAKDM4EALOX12PDK1PDK2
SCHEMBL10046356 0.79 KDM4E (0.57) LMNAKDM4EALOX12PDK1PDK2

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-1940835-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-09 EP disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed