SCHEMBL14282085

SCHEMBL14282085

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OS(=O)(=O)CCCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ BUB1 O43683 1/20 0.44
▸ GUCY1A1 Q02108 5/20 0.43
▸ GUCY1B1 Q02153 5/20 0.43

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
SCHEMBL14282088 0.91 ADORA3 (0.55) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282086 0.90 ADORA3 (0.54) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282089 0.89 ADORA3 (0.57) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282081 0.88 ADORA3 (0.59) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL4931257 0.87 ADORA3 (0.56) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282080 0.85 ADORA3 (0.60) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282090 0.84 ADORA3 (0.56) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282083 0.83 ADORA3 (0.57) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL14282082 0.83 ADORA3 (0.55) PDE5AADORA3KCNH2BUB1GUCY1A1
SCHEMBL4939648 0.81 ADORA3 (0.64) PDE5AADORA3KCNH2BUB1GUCY1A1

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-7317016-B2 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-01-08 — — US disclosed
US-7317016-B2 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-01-08 — — US disclosed
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