SCHEMBL29637216

SCHEMBL29637216

Nc1nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc(N)c1N1CCOC1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.43
GUCY1B1 Q02153 18/20 0.43
ADORA3 P0DMS8 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL23161960 1.00 GUCY1A1 (0.43) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL255832 0.86 ADORA3 (0.57) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL458874 0.84 ADORA3 (0.57) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23162011 0.84 ADORA3 (0.43) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL12298795 0.84 PDE5A (0.50) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23161921 0.83 ADORA3 (0.48) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL24555990 0.82 ADORA3 (0.42) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23161978 0.80 ADORA3 (0.42) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL29637211 0.80 ADORA3 (0.42) GUCY1A1GUCY1B1ADORA3KCNH2
SCHEMBL23161966 0.78 ADORA3 (0.51) 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
EP-3609883-B1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-06-29 EP disclosed