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Sugi Predict / Compounds / SCHEMBL16459108

SCHEMBL16459108

SCHEMBL16459108

CCC(C(=O)O)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N=[N+]=[N-]

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.51
▸ ADORA3 P0DMS8 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ GUCY1A1 Q02108 1/20 0.44
▸ GUCY1B1 Q02153 1/20 0.44

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
SCHEMBL15519039 0.86 PDE5A (0.56) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244857 0.85 PDE5A (0.51) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244862 0.85 PDE5A (0.51) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL327099 0.85 PDE5A (0.55) PDE5AADORA3KCNH2
SCHEMBL16458337 0.85 ADORA3 (0.61) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL15579997 0.83 PDE5A (0.57) PDE5AADORA3KCNH2
SCHEMBL16245036 0.80 PDE5A (0.63) PDE5AADORA3KCNH2
SCHEMBL15518999 0.80 PDE5A (0.49) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16458548 0.79 PDE5A (0.48) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL15520435 0.78 PDE5A (0.47) 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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