SCHEMBL22579701

SCHEMBL22579701

CSc1ncnn2c(C3(O)O[C@H](COCc4ccccc4)C[C@H]3OCc3ccccc3)cnc12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.31
▸ HRH3 Q9Y5N1 4/20 0.31
▸ TNK2 Q07912 1/20 0.31

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
SCHEMBL22569896 0.90 TNK2 (0.31) HRH4HRH3TNK2
SCHEMBL23278048 0.87 TNK2 (0.33) HRH4HRH3TNK2
SCHEMBL17106669 0.85 PTPN1 (0.34) —
SCHEMBL19412708 0.85 PTPN1 (0.34) —
SCHEMBL24557910 0.83 PDE2A (0.34) —
SCHEMBL22569956 0.82 HRH4 (0.32) HRH4HRH3TNK2
SCHEMBL12835934 0.79 HRH4 (0.33) HRH4HRH3
SCHEMBL12243125 0.79 HRH4 (0.33) HRH4HRH3
SCHEMBL23823026 0.78 TNK2 (0.34) HRH4HRH3TNK2
SCHEMBL17131351 0.78 TSHR (0.31) TNK2

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
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
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