SCHEMBL11224748

SCHEMBL11224748

CCCCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.84
PDE3B Q13370 5/20 0.84
KDM4E B2RXH2 5/20 0.61
HPGD P15428 4/20 0.61
PDE4A P27815 2/20 0.61
BLM P54132 2/20 0.61
PDE5A O76074 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
CYP2C19 P33261 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
GALR3 O60755 1/20 0.44

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
SCHEMBL11226186 0.96 PDE3A (0.86) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10910752 0.91 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10998629 0.86 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL6469376 0.82 PDE3A (0.78) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11235747 0.81 PDE3B (0.55) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11229942 0.81 PDE3B (0.58) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11230175 0.80 PDE3A (0.74) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10934165 0.80 PDE3A (0.74) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11230321 0.79 PDE3B (0.54) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11118932 0.78 PDE3B (0.57) 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 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