SCHEMBL20106978

SCHEMBL20106978

COc1cc(I)cc2c1NC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLK1 P53350 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
AHR P35869 1/20 0.34
SRC P12931 2/20 0.34
EGFR P00533 1/20 0.34
GRIA1 P42261 3/20 0.33
CACNG8 Q8WXS5 3/20 0.33
EIF2AK2 P19525 1/20 0.33
GSK3B P49841 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CACNG2 Q9Y698 1/20 0.33

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
SCHEMBL20106903 0.81 TDP2 (0.40) TDP2MEN1KMT2AL3MBTL1PLK1
SCHEMBL20094339 0.78 TDP2 (0.37) TDP2MEN1KMT2AL3MBTL1CYP3A4
SCHEMBL20106766 0.77 TDP2 (0.46) TDP2AHRGRIA1CACNG8EIF2AK2
SCHEMBL18031225 0.76 CA12 (0.49) TDP2KMT2A
SCHEMBL18031227 0.75 MAPT (0.41) MEN1KMT2AL3MBTL1CYP3A4MAPT
SCHEMBL6028965 0.75 KMT2A (0.42) TDP2MEN1KMT2AL3MBTL1CYP3A4
SCHEMBL20106900 0.75 TDP2 (0.44) TDP2MEN1KMT2AMAPTAHR
SCHEMBL20112858 0.74 TDP2 (0.46) TDP2AHRGRIA1CACNG8EIF2AK2
SCHEMBL20106765 0.74 AHR (0.53) TDP2MEN1KMT2AMAPTAHR
SCHEMBL1317350 0.72 AHR (0.56) TDP2KMT2AL3MBTL1MAPTAHR

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-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP disclosed
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed