SCHEMBL6436636

SCHEMBL6436636

CCc1nn(CC)c2nc(C)cc(NC3CCOCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.37
BRD4 O60885 1/20 0.36
PDE7A Q13946 2/20 0.36
NPY1R P25929 4/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
LRRK2 Q5S007 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4951394 0.81 LRRK2 (0.39) PDE4BPDE7AMAPK1ALDH1A1PDE1A
SCHEMBL4954967 0.75 PDE1B (0.42) BRD4PDE1APDE1BPDE1CLRRK2
SCHEMBL4952368 0.75 PDE1B (0.42) BRD4PDE1APDE1BPDE1CLRRK2
SCHEMBL4330507 0.74 PDE4B (0.41) PDE4BPDE7APDE3BPDE3APOLB
SCHEMBL4951461 0.71 LRRK2 (0.44) PDE4BBRD4PDE7AMAPK1PDE1B
SCHEMBL4931029 0.70 ADORA2A (0.39) ALDH1A1POLB
SCHEMBL5176743 0.70 PDE4B (0.39) PDE4BBRD4PDE7AMAPK1PDE1B
SCHEMBL2250305 0.69 CCNE2 (0.39)
SCHEMBL4937428 0.67 ROCK2 (0.42) BRD4MAPK1ALDH1A1POLB
SCHEMBL3429048 0.67 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A

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-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed