SCHEMBL8184469

SCHEMBL8184469

Nc1ncnc2c1ncn2CCC(CO)=C(F)F

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.65
▸ ADORA1 P30542 3/20 0.65
▸ ADORA2B P29275 1/20 0.57
▸ AHCY P23526 7/20 0.54
▸ ADCY5 O95622 3/20 0.53
▸ PI4KA P42356 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ PI4K2A Q9BTU6 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52

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
SCHEMBL8174851 0.86 ADORA2A (0.65) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL8189896 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL12948654 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL8185730 0.80 AHCY (0.64) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL8185723 0.80 AHCY (0.64) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL8185728 0.80 AHCY (0.64) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL984944 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL29459142 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BAHCYADCY5
SCHEMBL11222112 0.79 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5PI4KA
Hydrochloric Acid SCHEMBL9193028 0.78 ADORA2A (0.97) ADORA2AADORA1ADORA2BAHCYADCY5

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 disclosed
EP-0705264-B1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1999-04-07 — — EP disclosed
EP-0705264-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 — — 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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