SCHEMBL10808401

SCHEMBL10808401

Cc1ccncc1C(=O)c1cc(C#N)c(=O)[nH]c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 6/20 0.52
▸ PDE3B Q13370 5/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ PDE4A P27815 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ SIRT3 Q9NTG7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PDE2A O00408 1/20 0.41

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
SCHEMBL9770554 0.83 PDE3A (0.59) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10808228 0.81 KDM4E (0.48) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10808674 0.77 KDM4E (0.45) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10809707 0.75 KDM4E (0.43) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL9770587 0.75 KDM4E (0.49) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL5519641 0.75 PDE3A (0.70) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL7381624 0.75 KDM4E (0.57) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11020885 0.74 PDE3A (0.54) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL4514368 0.73 KDM4E (0.50) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL4739455 0.73 KDM4E (0.56) PDE3APDE3BKDM4EHPGDPDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650806-A Cardiotonic 5-(heterylcarbonyl)-pyridones STERLING DRUG INC. (US) 1987-03-17 — — US disclosed
EP-0191298-A2 1,6 -Naphthyridin-2(1H) - ones useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1986-08-20 — — EP disclosed
US-4567186-A 5-Heteryl-1,6-naphthyridin-2(1H)-ones, cardiotonic use thereof and intermediates therefor STERLING DRUG INC. (US) 1986-01-28 — — US disclosed
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