SCHEMBL9575361

SCHEMBL9575361

CC(=O)Nc1nc(Cl)c2c(ncn2COCC(COC(C)C)OCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.43
ADORA3 P0DMS8 9/20 0.38
ADORA2A P29274 9/20 0.38
ADORA1 P30542 8/20 0.38
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL9021161 0.93 BCHE (0.50) BCHEACHEADORA3ADORA2AADORA1
SCHEMBL9575342 0.87 ACHE (0.43) BCHEACHEADORA2A
SCHEMBL9021299 0.86 ACHE (0.42) BCHEACHEADORA3ADORA2AADORA1
SCHEMBL9845246 0.85 BCHE (0.36) BCHEACHEHPGD
SCHEMBL9020901 0.82 BCHE (0.48) BCHEACHEADORA3ADORA2AADORA1
SCHEMBL9575496 0.80 ACHE (0.42) BCHEACHEADORA3ADORA2AADORA1
SCHEMBL9575530 0.80 ACHE (0.43) BCHEACHEADORA2A
SCHEMBL9021416 0.79 ACHE (0.41) BCHEACHEADORA3ADORA2AADORA1
SCHEMBL9019800 0.78 BCHE (0.38) BCHEACHEHPGD
SCHEMBL9021782 0.77 ACHE (0.43) BCHEACHEADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed