SCHEMBL10553072

SCHEMBL10553072

CC1CC(=O)NN=C1c1ccc(-n2cncn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.50
▸ PDE3A Q14432 16/20 0.50
▸ PDE4A P27815 3/20 0.50
▸ PDE4B Q07343 3/20 0.50
▸ PDE4C Q08493 3/20 0.50
▸ PDE4D Q08499 3/20 0.50
▸ PDE2A O00408 1/20 0.46
▸ PDE1A P54750 1/20 0.46
▸ PDE1B Q01064 1/20 0.46
▸ PDE1C Q14123 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL10627593 0.83 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10547986 0.82 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10553519 0.81 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10469492 0.80 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10548993 0.79 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10549361 0.76 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10549446 0.76 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10552154 0.75 PDE3A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518825 0.75 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10554322 0.74 PDE3B (0.76) PDE3BPDE3APDE4APDE4BPDE4C

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
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — EP disclosed
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