SCHEMBL29637237

SCHEMBL29637237

Nc1nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc(N)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ GUCY1A1 Q02108 17/20 0.47
▸ GUCY1B1 Q02153 17/20 0.47
▸ PDE5A O76074 1/20 0.45

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
SCHEMBL23161966 1.00 ADORA3 (0.51) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161921 0.88 ADORA3 (0.48) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161988 0.87 GUCY1A1 (0.51) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161994 0.87 ADORA3 (0.52) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL29637225 0.87 ADORA3 (0.52) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161945 0.86 ADORA3 (0.51) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161959 0.85 ADORA3 (0.50) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL30937506 0.85 ADORA3 (0.50) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161926 0.85 BUB1 (0.51) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL29637235 0.85 BUB1 (0.51) 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
EP-3609883-B1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-06-29 — — EP disclosed
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