SCHEMBL29637229

SCHEMBL29637229

Nc1nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc(N)c1NC(=O)C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ GUCY1A1 Q02108 16/20 0.41
▸ GUCY1B1 Q02153 16/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23162029 1.00 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1NPC1
SCHEMBL29637219 0.98 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1NPC1
SCHEMBL23162009 0.98 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1NPC1
SCHEMBL29637227 0.87 ADORA3 (0.47) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23162020 0.87 ADORA3 (0.47) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23162002 0.87 ADORA3 (0.44) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637226 0.87 ADORA3 (0.44) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161979 0.86 ADORA3 (0.42) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637233 0.86 ADORA3 (0.42) ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161973 0.85 ADORA3 (0.43) 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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