SCHEMBL14282081

SCHEMBL14282081

CCS(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ PDE5A O76074 13/20 0.53
▸ GUCY1A1 Q02108 3/20 0.48
▸ GUCY1B1 Q02153 3/20 0.48
▸ BUB1 O43683 2/20 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
SCHEMBL14282089 0.94 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282088 0.93 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL4931257 0.92 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282080 0.92 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282086 0.92 ADORA3 (0.54) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282083 0.90 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282090 0.89 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282085 0.88 PDE5A (0.52) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14282082 0.87 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL4939648 0.87 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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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