SCHEMBL11243508

SCHEMBL11243508

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FTO Q9C0B1 1/20 0.39
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
ABL1 P00519 1/20 0.37
CDC7 O00311 2/20 0.37
PIK3CB P42338 1/20 0.37
KDM5B Q9UGL1 2/20 0.36
KDM5A P29375 1/20 0.36
SORT1 Q99523 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
SCHEMBL11244158 0.89 CCNC (0.49) PDE3BPDE3ACCNCCDK8CDK5
SCHEMBL11236041 0.84 PDE3B (0.41) PDE3BPDE3ACCNCCDK8CDK5
SCHEMBL11237847 0.84 PDE3B (0.60) PDE3BPDE3ACCNCCDK8CDK5
SCHEMBL11236049 0.83 CCNC (0.41) PDE3BPDE3ACCNCCDK8CDK5
SCHEMBL10982380 0.82 PDE3B (0.45) PDE3BPDE3ACDK5CDK5R1KDM4E
SCHEMBL11238599 0.81 PDE3B (0.49) PDE3BPDE3ACCNCCDK8CDC7
SCHEMBL11236017 0.81 MAPK1 (0.49) PDE3BPDE3ACCNCCDK8CDK5
SCHEMBL11234641 0.79 PDE3B (0.44) PDE3BPDE3AKDM4EHPGDHSD17B10
SCHEMBL11241422 0.78 PDE3B (0.43) PDE3BPDE3ACCNCCDK8TLR9
SCHEMBL11223772 0.78 PDE3A (0.73) PDE3BPDE3AKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-4264612-A Lower-alkyl 2-halo-5-(pyridinyl)nicotinates, their preparation and use as cardiotonics STERLING DRUG INC. (US) 1981-04-28 US disclosed