SCHEMBL11223772

SCHEMBL11223772

CCc1[nH]c(=O)c(C#N)cc1-c1ccnc(C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.73
PDE3B Q13370 4/20 0.73
HPGD P15428 3/20 0.52
KDM4E B2RXH2 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
GALR3 O60755 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL10998629 0.84 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10912708 0.84 PDE3A (0.72) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10986964 0.81 PDE3A (0.74) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11236017 0.81 MAPK1 (0.49) PDE3APDE3B
SCHEMBL11238599 0.81 PDE3B (0.49) PDE3APDE3BPDE4APDE4BPDE4C
SCHEMBL7349019 0.78 PDE3A (0.62) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10707484 0.78 PDE3B (0.73) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11241422 0.78 PDE3B (0.43) PDE3APDE3BALDH1A1
SCHEMBL10912596 0.78 PDE3A (0.66) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11243508 0.78 PDE3B (0.43) PDE3APDE3BHPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365065-A 1-(Pyridinyl)-2-(dimethylamino)ethenyl lower-alkyl ketones STERLING DRUG INC. (US) 1982-12-21 US disclosed
US-4361568-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridin-3-amines and their cardiotonic use STERLING DRUG INC. (US) 1982-11-30 US disclosed
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4339584-A Process for preparing 3-amino-5-(pyridinyl)-2(1H)-pyridinones via N-hydroxy-1,2-dihydro-2-oxo-5-(pyridinyl)-nicotinimidamide by reaction with polyphosphoric acid STERLING DRUG INC. (US) 1982-07-13 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4313951-A 3-Substituted-6-(lower-alkyl)-5-(pyridinyl)-2(1H)-pyridinones, their cardiotonic use and intermediates therefor STERLING DRUG INC. (US) 1982-02-02 US disclosed
US-4312875-A 5-(Pyridinyl)-6-(lower-alkyl)-2(1H)-pyridinones, 1,2-dihydro-2-oxo-5-(pyridinyl)-6-(lower-alkyl)nicotinic acids and lower-alkyl esters thereof, and cardiotonic use thereof STERLING DRUG INC. (US) 1982-01-26 US disclosed
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4305948-A N-Hydroxy-1,2-dihydro-2-oxo-5-(pyridinyl)-nicotinimidamide and their cardiotonic use STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed
US-4265895-A 1,2-Dihydro-5-pyridinyl-3H-pyrazolo[3,4-b]pyridin-3-ones and their use as cardiotonics STERLING DRUG INC. (US) 1981-05-05 US disclosed
US-4264603-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridine-3-amines, their use as cardiotonics and their preparation STERLING DRUG INC. (US) 1981-04-28 US disclosed
US-4264612-A Lower-alkyl 2-halo-5-(pyridinyl)nicotinates, their preparation and use as cardiotonics STERLING DRUG INC. (US) 1981-04-28 US disclosed