SCHEMBL10707484

SCHEMBL10707484

CCc1[nH]c(=O)c(C#N)cc1-c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.73
PDE3A Q14432 4/20 0.73
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 2/20 0.49
PDE5A O76074 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
PDE4A P27815 1/20 0.49
BLM P54132 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GALR3 O60755 1/20 0.48
GAA P10253 1/20 0.48
KDM5A P29375 2/20 0.46
CLK1 P49759 1/20 0.44
FASN P49327 1/20 0.43

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) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL10986964 0.84 PDE3A (0.74) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL10911458 0.83 PDE3A (0.71) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL11235886 0.81 PDE3B (0.46) PDE3BPDE3AKDM4EHPGDCYP2C19
SCHEMBL11231551 0.81 AURKB (0.51) PDE3BPDE3AKDM4EHPGDCYP2C19
SCHEMBL10888479 0.79 PDE3A (0.71) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL11234641 0.79 PDE3B (0.44) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL10989435 0.79 PDE3A (0.63) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL7349019 0.78 PDE3A (0.62) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL11223772 0.78 PDE3A (0.73) PDE3BPDE3AKDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127756-B1 PROCESS FOR THE PREPARATION OF 5-PYRIDYL-PYRIDINE-2(1H)-ONES FABRICA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS ABELLO, S.A. (ES) 1988-10-26 EP disclosed
US-4563528-A Process for preparing 5 pyridyl pyridine-2 (1H)-ones FABRICA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS ABELLO, S.A. (ES) 1986-01-07 US disclosed
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-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