SCHEMBL9565119

SCHEMBL9565119

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)Oc5ccccc5)ncnc43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 4/20 0.38
▸ ADORA2B P29275 4/20 0.38
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL22983976 0.88 ADORA3 (0.40) ADORA3ADORA2AADORA2B
SCHEMBL29674405 0.88 ADORA3 (0.40) ADORA3ADORA2AADORA2B
SCHEMBL9964291 0.86 PDE4A (0.45) ADORA2AADORA2BP2RY12
SCHEMBL12729571 0.82 ADORA3 (0.33) ADORA3ADORA2AADORA2BP2RY12
SCHEMBL12729578 0.77 STING1 (0.52) ADORA3ADORA2AADORA2B
SCHEMBL12595500 0.77 STING1 (0.52) ADORA3ADORA2AADORA2B
SCHEMBL17772331 0.77 STING1 (0.52) ADORA3ADORA2AADORA2B
SCHEMBL10239015 0.75 PRMT6 (0.38) ADORA2AADORA2BP2RY12
SCHEMBL16271095 0.74 STING1 (0.38) ADORA3
SCHEMBL22984018 0.74 PDE4A (0.47) ADORA2AADORA2BP2RY12

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-0567841-A2 Fluorescently marked compounds, their preparation and use MERCK PATENT GmbH (DE) 1993-11-03 — — EP disclosed
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