SCHEMBL21786710

SCHEMBL21786710

Cc1cc(C#N)cnc1CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.36
SSTR4 P31391 1/20 0.36
HPGDS O60760 2/20 0.33
LRRK2 Q5S007 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PTGER4 P35408 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAF1 P04049 1/20 0.32
IDH1 O75874 1/20 0.32
GRM5 P41594 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31

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
SCHEMBL19771956 0.81 HTT (0.35) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL24595125 0.80 PTGER4 (0.41) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL29395259 0.79 KDM4E (0.39) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL25238478 0.79 KDM4E (0.39) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL25786530 0.79 KDM4E (0.39) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL21786716 0.77 KDM4E (0.38) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL1425018 0.76 EGLN2 (0.37) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL20470819 0.74 EGLN2 (0.40) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL30624366 0.71 HTT (0.44) EGLN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL846133 0.71 HTT (0.44) EGLN2KDM4EALDH1A1L3MBTL1HTT

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-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 WO disclosed