SCHEMBL28495776

SCHEMBL28495776

NC(=O)Oc1c(N)nc(-c2nn(Cc3ccccn3)c3c(F)cccc23)nc1N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ GUCY1A1 Q02108 16/20 0.39
▸ GUCY1B1 Q02153 16/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL23161907 0.89 ADORA3 (0.45) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL30937506 0.87 ADORA3 (0.50) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161959 0.87 ADORA3 (0.50) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161993 0.85 ADORA3 (0.41) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161922 0.85 ADORA3 (0.39) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23162003 0.84 ADORA3 (0.44) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23186724 0.83 ADORA3 (0.47) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161905 0.83 KCNH2 (0.55) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL28503510 0.83 ADORA3 (0.40) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL28500468 0.83 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

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-108727340-B Fluorine substituted indazoles and use thereof 广东东阳光药业有限公司 2020-12-29 — — CN disclosed
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