SCHEMBL12716058

SCHEMBL12716058

C[C@]1(O)C(n2cc(I)c3c(N)ncnc32)OC(CO)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.65
▸ ADK P55263 14/20 0.56
▸ HASPIN Q8TF76 1/20 0.48
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL19271869 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL6723537 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL1573050 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13649996 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13021352 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL2786078 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13650003 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL15241432 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13091999 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL6723371 0.91 ADK (0.65) ADORA2AADKHASPINADORA3MTOR

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-2195326-B1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2011-04-13 — — EP disclosed
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