SCHEMBL4337613

SCHEMBL4337613

CCn1ncc2c(NC3CCSCC3)c(C(=O)O)cnc21

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.63
ADORA1 P30542 2/20 0.49

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
SCHEMBL4350818 0.94 PDE4B (0.58) PDE4BADORA1
SCHEMBL583313 0.92 PDE4B (0.70) PDE4BADORA1
SCHEMBL583135 0.90 PDE4B (0.77) PDE4B
SCHEMBL583156 0.89 PDE4B (0.77) PDE4B
SCHEMBL583438 0.88 PDE4B (0.65) PDE4BADORA1
SCHEMBL583410 0.88 PDE4B (0.83) PDE4BADORA1
SCHEMBL582853 0.87 PDE4B (0.82) PDE4B
SCHEMBL4345701 0.87 PDE4B (0.63) PDE4BADORA1
SCHEMBL4341428 0.87 PDE4B (0.63) PDE4BADORA1
SCHEMBL583383 0.86 PDE4B (0.62) PDE4BADORA1

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