SCHEMBL29637213

SCHEMBL29637213

Nc1nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc(N)c1NC(=O)N1CCC(F)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ GUCY1A1 Q02108 18/20 0.41
▸ GUCY1B1 Q02153 18/20 0.41

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
SCHEMBL23161995 1.00 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637238 0.90 ADORA3 (0.46) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23162037 0.90 ADORA3 (0.46) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637227 0.85 ADORA3 (0.47) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23162020 0.85 ADORA3 (0.47) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161945 0.84 ADORA3 (0.51) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL20534642 0.83 ADORA3 (0.46) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637209 0.83 ADORA3 (0.46) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161897 0.83 ADORA3 (0.45) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637228 0.83 ADORA3 (0.45) ADORA3KCNH2GUCY1A1GUCY1B1

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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