SCHEMBL28503424

SCHEMBL28503424

NC(=O)Oc1c(N)nc(-c2nn(Cc3ccccc3F)c3cc(F)ccc23)nc1N

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 19/20 0.56
▸ GUCY1B1 Q02153 19/20 0.56
▸ ADORA3 P0DMS8 1/20 0.46
▸ KCNH2 Q12809 1/20 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
SCHEMBL28507109 0.93 GUCY1A1 (0.49) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23162036 0.89 GUCY1A1 (0.56) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL28507122 0.85 ADORA3 (0.48) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23161933 0.85 GUCY1A1 (0.59) GUCY1A1GUCY1B1
SCHEMBL30937506 0.83 ADORA3 (0.50) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23161959 0.83 ADORA3 (0.50) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23161967 0.83 GUCY1A1 (0.58) GUCY1A1GUCY1B1
SCHEMBL23186734 0.83 GUCY1A1 (0.56) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL28496288 0.83 GUCY1A1 (0.42) GUCY1A1GUCY1B1
SCHEMBL23162035 0.81 GUCY1A1 (0.59) GUCY1A1GUCY1B1ADORA3KCNH2

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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