SCHEMBL22569956

SCHEMBL22569956

CSc1ncnn2c(C3(O)CC[C@@H](COCc4ccccc4)O3)cnc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ HSPA5 P11021 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
SCHEMBL19343808 0.87 HRH4 (0.31) HRH4HRH3TNK2LMNA
SCHEMBL19343805 0.87 HRH4 (0.31) HRH4HRH3TNK2LMNA
SCHEMBL22569896 0.83 TNK2 (0.31) HRH4HRH3TNK2LMNA
SCHEMBL22579701 0.82 HRH4 (0.31) HRH4HRH3TNK2
SCHEMBL17106669 0.78 PTPN1 (0.34) HSPA5
SCHEMBL19412708 0.78 PTPN1 (0.34) HSPA5
SCHEMBL12836635 0.78 HRH4 (0.34) HRH4HRH3TNK2LMNA
SCHEMBL24557910 0.77 PDE2A (0.34) HSPA5
SCHEMBL12294892 0.76 TNK2 (0.35) HRH4HRH3TNK2LMNAHSPA5
SCHEMBL18667233 0.76 TNK2 (0.35) HRH4HRH3TNK2LMNAHSPA5

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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