SCHEMBL22569896

SCHEMBL22569896

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.31
▸ HRH4 Q9H3N8 4/20 0.30
▸ HRH3 Q9Y5N1 4/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL22579701 0.90 HRH4 (0.31) TNK2HRH4HRH3
SCHEMBL22569956 0.83 HRH4 (0.32) TNK2HRH4HRH3LMNA
SCHEMBL24557910 0.83 PDE2A (0.34) —
SCHEMBL17106669 0.83 PTPN1 (0.34) —
SCHEMBL19412708 0.83 PTPN1 (0.34) —
SCHEMBL22569894 0.77 HRH4 (0.34) HRH4HRH3LMNA
SCHEMBL23278048 0.77 TNK2 (0.33) TNK2HRH4HRH3LMNA
SCHEMBL19758149 0.76 TSHR (0.31) TNK2
SCHEMBL17131351 0.76 TSHR (0.31) TNK2
SCHEMBL19343805 0.72 HRH4 (0.31) TNK2HRH4HRH3LMNA

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-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
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