SCHEMBL6206687

SCHEMBL6206687

CC(=O)Oc1coc(CN2CCCC2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 6/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ELANE P08246 1/20 0.44
ATM Q13315 1/20 0.41

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
SCHEMBL6206685 0.87 PDK2 (0.46) PDK2KMT2AL3MBTL1LDHAPDK1
SCHEMBL28924629 0.82 PDK2 (0.47) PDK2KMT2AL3MBTL1LDHAPDK1
SCHEMBL14175013 0.81 KMT2A (0.53) PDK2KMT2AL3MBTL1LDHAPDK1
SCHEMBL5068119 0.80 L3MBTL1 (0.58) PDK2KMT2AL3MBTL1LDHAPDK1
SCHEMBL124774 0.78 RAB9A (0.54) KMT2AELANE
SCHEMBL10494240 0.76 ELANE (0.59) ELANE
SCHEMBL19331445 0.74 TYR (0.56)
SCHEMBL3030393 0.70 CA12 (0.44) KMT2AL3MBTL1ELANE
SCHEMBL14883952 0.69 MEN1 (0.42) KMT2AL3MBTL1
SCHEMBL14132351 0.68 LMNA (0.40) KMT2A

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-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 WO disclosed