SCHEMBL20112858

SCHEMBL20112858

O=C1Cc2cc(I)cc(F)c2N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 9/20 0.46
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
AHR P35869 5/20 0.37
CMA1 P23946 2/20 0.33
PDK2 Q15119 1/20 0.33
KIF11 P52732 1/20 0.33
EIF2AK2 P19525 1/20 0.33
HDAC3 O15379 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
MAP3K14 Q99558 1/20 0.32

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
SCHEMBL1318667 0.81 TGM2 (0.44) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL1163094 0.78 GRIA1 (0.41) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL4297627 0.78 TDP2 (0.46) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL20106765 0.78 AHR (0.53) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL5498437 0.78 GRIA1 (0.41) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL20106766 0.78 TDP2 (0.46) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL20106904 0.77 TDP2 (0.42) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL20106900 0.75 TDP2 (0.44) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL23612469 0.74 GRIA1 (0.39) TDP2GRIA1CACNG8AHRCMA1
SCHEMBL12056350 0.74 GRIA1 (0.41) TDP2GRIA1CACNG8AHRCMA1

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-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed