SCHEMBL20106901

SCHEMBL20106901

N#Cc1cc(I)cc2c1NC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.42
PGR P06401 2/20 0.35
AHR P35869 5/20 0.34
CMA1 P23946 2/20 0.34
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK2 Q15119 1/20 0.31
KCNH2 Q12809 1/20 0.30
EIF2AK2 P19525 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL18189555 0.80 TDP2 (0.42) TDP2PGRAHRCMA1GRM5
SCHEMBL25899774 0.80 AHR (0.45) TDP2PGRAHRCMA1GRM5
SCHEMBL20094336 0.76 TDP2 (0.34) TDP2PGRAHRCMA1GRM5
SCHEMBL20106765 0.74 AHR (0.53) TDP2PGRAHRCMA1GRM5
SCHEMBL20106766 0.74 TDP2 (0.46) TDP2AHRCMA1PDK2EIF2AK2
SCHEMBL2075401 0.72 AHR (0.56) TDP2PGRAHRCMA1GRM5
SCHEMBL20106900 0.71 TDP2 (0.44) TDP2AHRCMA1PDK2EIF2AK2
SCHEMBL20106978 0.70 TDP2 (0.42) TDP2AHREIF2AK2
SCHEMBL31116841 0.67 PDE3B (0.52) KDM4ENPSR1ALDH1A1
SCHEMBL5365648 0.67 AHR (0.49) TDP2PGRAHRCMA1GRM5

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