SCHEMBL10703160

SCHEMBL10703160

CN1N=C(c2ccc(N3CCOCC3)c(C#N)c2)C(O)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.49
▸ PDE3A Q14432 6/20 0.49
▸ XDH P47989 2/20 0.48
▸ TBK1 Q9UHD2 6/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10704319 0.84 XDH (0.46) PDE3BPDE3AXDHTBK1HPGD
SCHEMBL10739815 0.71 GPR119 (0.60) PDE3BPDE3A
SCHEMBL10703150 0.71 PDE3B (0.55) PDE3BPDE3AXDHTBK1
SCHEMBL10704316 0.69 PDE3B (0.50) PDE3BPDE3AXDHHPGD
SCHEMBL10763921 0.67 PDE3B (0.71) PDE3BPDE3AXDHTBK1
SCHEMBL414489 0.67 MAPK1 (0.55) PDE3BPDE3AXDHMAPK1HPGD
SCHEMBL20702814 0.67 SLC6A5 (0.56) PDE3BPDE3AXDHMAPK1HPGD
SCHEMBL20702646 0.66 PDE3B (1.00) PDE3BPDE3A
SCHEMBL8867261 0.65 XDH (0.66) PDE3BPDE3AXDH
SCHEMBL17134283 0.65 XDH (1.00) XDH

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-0172141-B1 SUBSTITUTED PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATION CONTAINING THESE COMPOUNDS AND THEIR USE CIBA-GEIGY AG (CH) 1988-12-07 — — EP disclosed
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