SCHEMBL8447491

SCHEMBL8447491

CCC(=O)OCCOCn1cnc2c(=O)[nH]c(NC(C)=O)nc21

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
TSHR P16473 2/20 0.83
HBB P68871 2/20 0.52
MAPK1 P28482 1/20 0.52
PNP P00491 7/20 0.49
USP2 O75604 1/20 0.49
EDNRA P25101 1/20 0.49
HTR2A P28223 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPRT1 P00492 3/20 0.45
POLG P54098 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL7819447 0.91 MEN1 (1.00) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL9021892 0.89 TSHR (0.81) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL8444939 0.86 MEN1 (0.80) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL9022143 0.84 KMT2A (0.62) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL1177579 0.84 MEN1 (0.68) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL8445568 0.83 MEN1 (0.73) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL1178400 0.82 MEN1 (0.65) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL1177567 0.81 MEN1 (0.64) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL14383601 0.81 TSHR (0.72) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL8522343 0.80 MEN1 (0.70) MEN1KMT2ATSHRHBBMAPK1

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-0704445-B1 Preparation of N-9 substituted guanine compounds HOFFMANN LA ROCHE (CH) 1999-04-21 EP disclosed
EP-0704445-A1 Preparation of N-9 substituted guanine compounds F. Hoffmann-La Roche AG (CH) 1996-04-03 EP disclosed