SCHEMBL9845279

SCHEMBL9845279

CC(=O)Nc1ncc2c(ncn2COCCOC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.33
HBB P68871 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
CCR4 P51679 1/20 0.31
DEGS1 O15121 1/20 0.31
TKT P29401 1/20 0.30

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
SCHEMBL9845265 0.86 TSHR (0.40) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL9019807 0.85 PDE3A (0.32) MEN1KMT2AHTTSMN1; SMN2CCR4
SCHEMBL9019764 0.82 PDE3A (0.38) MEN1KMT2ASMN1; SMN2TKT
SCHEMBL9019796 0.81 CYP3A4 (0.41) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL9575496 0.81 ACHE (0.42) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL9845272 0.80 CYP3A4 (0.35) MEN1KMT2ATSHRSMN1; SMN2TKT
SCHEMBL9845278 0.80 SYK (0.31) MEN1KMT2ATSHRCCR4
SCHEMBL9845246 0.79 BCHE (0.36) MEN1KMT2ATSHRMAPK1
SCHEMBL9019826 0.78 ALDH1A1 (0.37) MEN1KMT2ATSHRSMN1; SMN2TKT
SCHEMBL9019800 0.77 BCHE (0.38) MEN1KMT2ATSHRMAPK1

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
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed