SCHEMBL11237847

SCHEMBL11237847

CCc1[nH]c(=O)c(C(=O)O)cc1-c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.60
PDE3A Q14432 6/20 0.60
CDC7 O00311 2/20 0.49
CDK5 Q00535 4/20 0.48
CDK5R1 Q15078 4/20 0.48
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.39
UCHL1 P09936 1/20 0.39
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL11234483 0.89 PDE3B (0.62) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11078652 0.88 CDC7 (0.61) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11227656 0.87 PDE3B (0.53) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL10982380 0.86 PDE3B (0.45) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11247774 0.86 PDE3B (0.52) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11234641 0.85 PDE3B (0.44) PDE3BPDE3AKDM4EHPGDHSD17B10
SCHEMBL11246018 0.85 PDE3B (0.44) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11242652 0.84 CDK5 (0.64) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11243508 0.84 PDE3B (0.43) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL16115139 0.84 PDE3B (0.53) PDE3BPDE3ACDC7CDK5CDK5R1

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