SCHEMBL9645002

SCHEMBL9645002

CCc1cn([C@@H]2CC(O)[C@H](CCC(=O)Cc3c(C)cccc3C)O2)c(=O)[nH]c1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.54
TK1 P04183 1/20 0.54

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
SCHEMBL9644991 1.00 TK2 (0.54) TK2TK1
SCHEMBL9645468 0.92 TK2 (0.53) TK2TK1
SCHEMBL9645455 0.92 TK2 (0.53) TK2TK1
SCHEMBL9644348 0.90 TK2 (0.53) TK2TK1
SCHEMBL9644358 0.90 TK2 (0.53) TK2TK1
SCHEMBL9645047 0.88 TK2 (0.55) TK2TK1
SCHEMBL9645038 0.88 TK2 (0.55) TK2TK1
SCHEMBL9644301 0.87 RNASE1 (0.49) TK2TK1
SCHEMBL9644294 0.87 RNASE1 (0.49) TK2TK1
SCHEMBL9646534 0.86 TK2 (0.59) TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255894-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1992-10-07 EP claimed
EP-0255894-A2 Pyrimidine derivatives, their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-02-17 EP claimed
EP-0255894-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1992-10-07 EP disclosed
US-4882316-A CONTROL AND PREVENTION OF VIRAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1989-11-21 US disclosed
EP-0255894-A2 Pyrimidine derivatives, their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-02-17 EP disclosed