SCHEMBL10690164

SCHEMBL10690164

CC1CC(=O)NN=C1c1ccnc(-n2cccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.43
▸ PDE3A Q14432 13/20 0.42
▸ PDE3B Q13370 11/20 0.42
▸ PDE4B Q07343 7/20 0.42
▸ PDE4A P27815 4/20 0.42
▸ PDE4C Q08493 4/20 0.42
▸ PDE4D Q08499 4/20 0.42
▸ PDE5A O76074 2/20 0.40
▸ GPR119 Q8TDV5 3/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL10547163 0.78 PBRM1 (0.43) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL10547986 0.75 PDE3B (0.50) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10521022 0.70 PDE3B (0.58) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10521017 0.70 PDE3B (0.48) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10551547 0.68 PDE3A (0.61) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL10353457 0.65 PDE3B (0.71) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL16157002 0.64 PDE3B (0.61) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL7296342 0.64 PDE3B (0.61) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL8363953 0.64 ADORA2A (0.44) —
SCHEMBL3124266 0.63 PDE3A (0.60) PBRM1PDE3APDE3BPDE4BPDE4A

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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