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SCHEMBL16457797

SCHEMBL16457797

CC(C(=O)O)c1c(Cl)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ GUCY1A1 Q02108 6/20 0.48
▸ GUCY1B1 Q02153 6/20 0.48

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
SCHEMBL16245071 0.85 GUCY1A1 (0.52) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913971 0.84 ADORA3 (0.56) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL326783 0.81 ADORA3 (0.54) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913977 0.80 GUCY1A1 (0.53) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16457960 0.79 ADORA3 (0.54) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913968 0.78 ADORA3 (0.56) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL327099 0.77 PDE5A (0.55) PDE5AADORA3KCNH2
SCHEMBL326910 0.76 PDE5A (0.78) PDE5A
SCHEMBL326440 0.76 PDE5A (0.58) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244602 0.76 ADORA3 (0.55) PDE5AADORA3KCNH2GUCY1A1GUCY1B1

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
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
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