SCHEMBL16631711

SCHEMBL16631711

CCc1cn(Cn2cc(C(C)C)nn2)c(=O)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.33
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EGLN2 Q96KS0 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
SCHEMBL18080420 0.85 TYMP (0.32) HTTEGLN2
SCHEMBL18081935 0.85 MAPK1 (0.43) TK1MAPK1
SCHEMBL18080418 0.75 EP300 (0.33) HTT
SCHEMBL16631910 0.75 MEN1 (0.31) MAPK1MEN1KMT2A
SCHEMBL18080395 0.75 NTRK1 (0.32) MEN1KMT2A
SCHEMBL18080416 0.72 TYMP (0.34) TK1HTTMAPK1
SCHEMBL21954727 0.70 MEN1 (0.32) MEN1KMT2AEGLN2
SCHEMBL16631677 0.70 MAPK1 (0.44) TK1MAPK1
SCHEMBL16631483 0.70 EGLN2 (0.40) HTTMAPK1EGLN2
SCHEMBL23957853 0.69 MAPK1 (0.43) TK1MAPK1DRD2DRD3MEN1

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed