SCHEMBL9039195

SCHEMBL9039195

Nc1ncnc2c1ncn2C/C=C(/CO)CCl

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 11/20 0.85
▸ ADORA2A P29274 8/20 0.56
▸ ADORA1 P30542 4/20 0.56
▸ PI4KA P42356 2/20 0.51
▸ PI4K2B Q8TCG2 2/20 0.51
▸ PI4K2A Q9BTU6 2/20 0.51
▸ PI4KB Q9UBF8 2/20 0.51
▸ GSK3B P49841 1/20 0.49
▸ ADORA2B P29275 1/20 0.49

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
SCHEMBL9040228 1.00 AHCY (0.85) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL8186426 0.82 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1020380 0.79 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL13667843 0.78 AHCY (0.72) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL8185183 0.76 AHCY (0.64) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL8185176 0.76 AHCY (0.64) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL8185180 0.76 AHCY (0.64) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL2384723 0.76 AHCY (0.65) AHCY
SCHEMBL1871838 0.75 ADORA2A (0.75) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL6158904 0.75 AHCY (0.76) AHCYADORA2AADORA1PI4KAPI4K2B

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-0705264-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 — — EP disclosed
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