SCHEMBL8185183

SCHEMBL8185183

Nc1ncnc2c1ncn2CCC(=CCl)CO

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 10/20 0.64
▸ ADORA2A P29274 7/20 0.63
▸ ADORA1 P30542 3/20 0.63
▸ ADORA2B P29275 1/20 0.56
▸ ADCY5 O95622 2/20 0.52
▸ PI4KA P42356 1/20 0.51
▸ PI4K2B Q8TCG2 1/20 0.51
▸ PI4K2A Q9BTU6 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51

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
SCHEMBL8185176 1.00 AHCY (0.64) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL8185180 1.00 AHCY (0.64) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL8185730 0.87 AHCY (0.64) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL8185723 0.87 AHCY (0.64) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL8185728 0.87 AHCY (0.64) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL8174851 0.80 ADORA2A (0.65) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL12948654 0.80 ADORA2A (0.68) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL8189896 0.80 ADORA2A (0.68) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL984944 0.78 ADORA2A (1.00) AHCYADORA2AADORA1ADORA2BADCY5
SCHEMBL29459142 0.78 ADORA2A (1.00) AHCYADORA2AADORA1ADORA2BADCY5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017923-A Carbo-acyclic nucleoside derivatives as antiviral and antineoplastic agents HOECHST MARION ROUSSEL, INC. (US) 2000-01-25 — — US claimed
US-6017923-A Carbo-acyclic nucleoside derivatives as antiviral and antineoplastic agents HOECHST MARION ROUSSEL, INC. (US) 2000-01-25 — — US disclosed
EP-0705264-B1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1999-04-07 — — EP disclosed
WO-1995000515-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 — — WO disclosed
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