SCHEMBL11249495

SCHEMBL11249495

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
CDC7 O00311 8/20 0.49
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
GSK3B P49841 1/20 0.40
BTK Q06187 1/20 0.40
CHUK O15111 1/20 0.40
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL11246399 0.96 PDE3B (0.52) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11240589 0.91 PDE3B (0.60) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11247774 0.89 PDE3B (0.52) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11223231 0.87 PDE3B (0.48) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11078652 0.86 CDC7 (0.61) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11236000 0.86 PDE3B (0.49) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11227656 0.85 PDE3B (0.53) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11223228 0.84 PDE3B (0.49) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL11228422 0.84 PDE3B (0.49) PDE3BPDE3ACDC7CCNCCDK8
SCHEMBL11229942 0.83 PDE3B (0.58) PDE3BPDE3ACDC7CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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