SCHEMBL20012346

SCHEMBL20012346

Nc1nc2c(ncn2CCCF)c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 1/20 0.74
▸ HPRT1 P00492 7/20 0.67
▸ PNP P00491 11/20 0.66
▸ USP2 O75604 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ EDNRA P25101 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ HBB P68871 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL15743134 0.90 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL8196749 0.89 TK1 (0.78) TK1HPRT1PNPUSP2TSHR
SCHEMBL29286376 0.88 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL3793003 0.87 TK1 (0.76) TK1HPRT1PNP
SCHEMBL9806969 0.87 TK1 (0.71) TK1HPRT1PNPUSP2TSHR
SCHEMBL27506929 0.86 TK1 (0.74) TK1HPRT1PNPUSP2TSHR
SCHEMBL6272731 0.86 TK1 (0.74) TK1HPRT1PNP
SCHEMBL3836263 0.86 TK1 (0.92) TK1HPRT1PNPUSP2TSHR
SCHEMBL8522271 0.85 TK1 (0.76) TK1HPRT1PNP
SCHEMBL571645 0.85 TK1 (1.00) TK1HPRT1PNPUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055071-A1 PRODRUGS OF FLUORINATED ACYCLIC NUCLEOSIDE PHOSPHONATES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-03-29 — — WO disclosed
Send feedback