SCHEMBL10684945

SCHEMBL10684945

O=C1COC(c2ccc(-n3ccnc3)nc2)=NN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.44
▸ PDE3A Q14432 5/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAOB P27338 14/20 0.43
▸ PDE2A O00408 1/20 0.39
▸ ADH5 P11766 1/20 0.39

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
SCHEMBL10961621 0.83 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10550384 0.79 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10468427 0.78 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10551860 0.78 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10469492 0.74 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10554320 0.73 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10468163 0.70 PDE3A (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10469541 0.69 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10631471 0.69 KMT2A (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10690916 0.69 PDE3B (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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