SCHEMBL19242604

SCHEMBL19242604

Cc1cn(C2CCC(C)O2)c(=O)[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.53
DHFR P00374 1/20 0.50
ALB P02768 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ADRA1A P35348 1/20 0.48
BLM P54132 1/20 0.48
PKM P14618 1/20 0.46

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
SCHEMBL78118 1.00 TK1 (0.53) TK1DHFRALBALDH1A1LMNA
Phosphoric Acid SCHEMBL3095605 0.93 TK1 (0.52) TK1DHFR
SCHEMBL9549703 0.91 TK1 (0.50) TK1DHFRALBALDH1A1LMNA
SCHEMBL9549708 0.90 TK1 (0.48) TK1DHFRALBALDH1A1LMNA
Pyrophosphoric Acid SCHEMBL1269545 0.89 POLB (0.54) TK1DHFRPOLB
SCHEMBL9549653 0.89 TK1 (0.50) TK1DHFRALBALDH1A1LMNA
Triphosphate SCHEMBL81707 0.87 POLB (0.55) TK1DHFRPOLB
SCHEMBL3154831 0.86 POLB (0.57) TK1DHFRPOLB
SCHEMBL9549656 0.86 TK1 (0.50) TK1DHFRALBALDH1A1LMNA
SCHEMBL5318941 0.85 TK1 (0.48) TK1DHFR

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
EP-3169693-B1 CHIMERIC POLYNUCLEOTIDES MODERNATX INC (US) 2022-03-09 EP disclosed
EP-2752422-B1 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2017-08-16 EP disclosed