SCHEMBL15519699

SCHEMBL15519699

NC(=NCC(=O)O)c1nn(Cc2c(F)ccc(F)c2F)c2ncc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.34
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
RORC P51449 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL19244697 0.89 PDE5A (0.33) PDE5AGUCY1A1GUCY1B1
SCHEMBL14746418 0.87 PDE5A (0.41) PDE5AGUCY1A1GUCY1B1
SCHEMBL15519721 0.85 PTGDR2 (0.39) PDE5AGUCY1A1GUCY1B1PTGDR2
SCHEMBL175275 0.85 PDE5A (0.47) PDE5AGUCY1A1GUCY1B1PTGDR2
SCHEMBL19244706 0.84 GRIN1 (0.34) PDE5AGUCY1A1GUCY1B1
SCHEMBL19244701 0.83 PTGDR2 (0.40) PDE5AGUCY1A1GUCY1B1PTGDR2
SCHEMBL19244708 0.83 PDE5A (0.36) PDE5AGUCY1A1GUCY1B1
SCHEMBL19244698 0.83 GRIN1 (0.34) PDE5AGUCY1A1GUCY1B1
Acetic Acid SCHEMBL16244961 0.83 PDE5A (0.34) PDE5AGUCY1A1GUCY1B1RORCPTGDR2
SCHEMBL9913982 0.82 PDE5A (0.32) PDE5A

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
EP-2708539-A1 Annulated pyrimidines and triazines and their use Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
EP-2682394-A1 1H-pyrazolo[3,4-b]pyridin-triazine derivatives and their use for the treatment or the prevention of cardiovascular diseases Bayer Intellectual Property GmbH (DE) 2014-01-08 EP disclosed