SCHEMBL5318941

SCHEMBL5318941

Cc1cn([C@H]2CC[C@@H](C)O2)c(=O)[nH]c1=S

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.48
DHFR P00374 1/20 0.38

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
SCHEMBL19242604 0.85 TK1 (0.53) TK1DHFR
SCHEMBL78118 0.85 TK1 (0.53) TK1DHFR
SCHEMBL1144933 0.82 TK1 (0.59) TK1
SCHEMBL14577794 0.82 TK1 (0.59) TK1
Phosphoric Acid SCHEMBL3095605 0.80 TK1 (0.52) TK1DHFR
SCHEMBL21345248 0.79 TK1 (0.46) TK1DHFR
SCHEMBL9549708 0.79 TK1 (0.48) TK1DHFR
SCHEMBL9549703 0.78 TK1 (0.50) TK1DHFR
SCHEMBL5614184 0.77 TK1 (0.51) TK1DHFR
SCHEMBL11718436 0.77 TK1 (0.43) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007083173-A2 MONONUCLEOTIDES AND MONONUCLEOSIDES FOR USE IN THERAPY UNIVERSITY OF DEBRECEN (HU) 2007-07-26 WO claimed
WO-2007083173-A2 MONONUCLEOTIDES AND MONONUCLEOSIDES FOR USE IN THERAPY UNIVERSITY OF DEBRECEN (HU) 2007-07-26 WO disclosed