SCHEMBL11236017

SCHEMBL11236017

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DYRK1A Q13627 2/20 0.36
NFATC1 O95644 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MTOR P42345 1/20 0.35
ABL1 P00519 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL11238599 0.84 PDE3B (0.49) MAPK1PDE3BPDE3ACCNCCDK8
SCHEMBL11243508 0.81 PDE3B (0.43) PDE3BPDE3ACCNCCDK8CDC7
SCHEMBL11223772 0.81 PDE3A (0.73) PDE3BPDE3A
SCHEMBL11241422 0.81 PDE3B (0.43) MAPK1PDE3BPDE3ACCNCCDK8
SCHEMBL11236041 0.80 PDE3B (0.41) MAPK1PDE3BPDE3ACCNCCDK8
SCHEMBL11229699 0.80 PDE3B (0.43) MAPK1PDE3BPDE3ACCNCCDK8
SCHEMBL11244158 0.80 CCNC (0.49) MAPK1PDE3BPDE3ACCNCCDK8
SCHEMBL10844600 0.80 PDE3B (0.47) MAPK1PDE3BPDE3ACDC7CDK5
SCHEMBL11232466 0.79 MAPK1 (0.46) MAPK1PDE3BPDE3ACCNCCDK8
SCHEMBL11236049 0.77 CCNC (0.41) MAPK1PDE3BPDE3ACCNCCDK8

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 2 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-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