SCHEMBL21908758

SCHEMBL21908758

NC1CCC(Nc2nccc(-c3cccnc3Oc3ccc(NS(=O)(=O)Cc4ccccc4)c(F)c3F)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 20/20 0.77
MAPK10 P53779 6/20 0.60

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
SCHEMBL25071816 1.00 ERN1 (0.77) ERN1MAPK10
SCHEMBL28551326 1.00 ERN1 (0.77) ERN1MAPK10
SCHEMBL30143221 0.92 ERN1 (0.77) ERN1MAPK10
SCHEMBL21909987 0.92 ERN1 (0.77) ERN1MAPK10
SCHEMBL25071753 0.92 ERN1 (0.77) ERN1MAPK10
SCHEMBL21909986 0.91 ERN1 (0.84) ERN1MAPK10
SCHEMBL30143116 0.91 ERN1 (0.84) ERN1MAPK10
SCHEMBL28559626 0.91 ERN1 (0.72) ERN1MAPK10
SCHEMBL25071940 0.90 ERN1 (0.76) ERN1MAPK10
SCHEMBL30143217 0.90 ERN1 (0.76) ERN1MAPK10

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-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 WO disclosed