SCHEMBL21539900

SCHEMBL21539900

CO[C@@H]1CC(CO)OC1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45

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
SCHEMBL18496429 0.90 SLC29A1 (0.48) ADORA1PRMT6SLC29A1P2RY12ADORA3
SCHEMBL16919749 0.89 P2RY12 (0.49) PRMT6P2RY12
SCHEMBL19442813 0.89 P2RY12 (0.49) PRMT6P2RY12
SCHEMBL19146307 0.89 ADORA1 (0.44) ADORA1PRMT6SLC29A1P2RY12
SCHEMBL16920449 0.89 P2RY12 (0.49) PRMT6P2RY12
SCHEMBL18496420 0.89 P2RY12 (0.45) ADORA1PRMT6SLC29A1P2RY12ADORA3
SCHEMBL18496467 0.87 SLC29A1 (0.59) ADORA1SLC29A1ADORA3ADORA2AADORA2B
SCHEMBL31160198 0.87 SLC29A1 (0.59) ADORA1SLC29A1ADORA3ADORA2AADORA2B
SCHEMBL13057655 0.87 SLC29A1 (0.45) ADORA1PRMT6SLC29A1P2RY12
SCHEMBL8619439 0.86 SLC29A1 (0.47) ADORA1SLC29A1ADORA3ADORA2AADORA2B

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-3233882-B1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2019-10-30 — — EP disclosed
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