SCHEMBL28810870

SCHEMBL28810870

O=C(O)CNc1nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)ncc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.55
▸ GUCY1A1 Q02108 1/20 0.49
▸ GUCY1B1 Q02153 1/20 0.49
▸ BUB1 O43683 2/20 0.46

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
SCHEMBL29859882 1.00 PDE5A (0.55) PDE5AGUCY1A1GUCY1B1BUB1
SCHEMBL28810114 0.91 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1BUB1
SCHEMBL23161899 0.86 BUB1 (0.51) BUB1
SCHEMBL29859541 0.82 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL28810091 0.82 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL16244657 0.82 PDE5A (0.57) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859327 0.81 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1BUB1
SCHEMBL16245201 0.81 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL16945957 0.80 GUCY1A1 (0.54) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859454 0.80 GUCY1A1 (0.55) PDE5AGUCY1A1GUCY1B1BUB1

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
CN-108690016-B Pyrazolopyridines and uses thereof 广东东阳光药业有限公司 2022-08-12 — — CN disclosed
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