SCHEMBL4339841

SCHEMBL4339841

CCc1nc2c(cnn2CC)c(N[C@@H]2CCOC2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.53
PDE7A Q13946 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
SCHEMBL1363559 0.94 PDE4B (0.60) PDE4B
SCHEMBL4937412 0.86 PDE4B (0.58) PDE4B
SCHEMBL4937373 0.85 PDE4B (0.57) PDE4BPDE7A
SCHEMBL8281071 0.85 PDE4B (0.62) PDE4BPDE7A
SCHEMBL1363114 0.83 PDE4B (0.70) PDE4B
SCHEMBL221173 0.83 PDE4B (0.61) PDE4BPDE7A
SCHEMBL1362494 0.81 PDE4B (0.59) PDE4B
SCHEMBL4937074 0.81 PDE4B (0.59) PDE4B
SCHEMBL4334216 0.81 PDE4B (0.73) PDE4B
SCHEMBL4934271 0.80 PDE4B (0.72) PDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed