SCHEMBL21909233

SCHEMBL21909233

O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(Oc2ncccc2-c2ccnc(NC3CCCNC3)n2)c(F)c1F

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 20/20 0.91

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
SCHEMBL30143273 1.00 ERN1 (0.91) ERN1
SCHEMBL25072043 1.00 ERN1 (0.91) ERN1
SCHEMBL30143232 0.95 ERN1 (1.00) ERN1
SCHEMBL25071750 0.95 ERN1 (1.00) ERN1
SCHEMBL25072046 0.95 ERN1 (0.92) ERN1
SCHEMBL30142988 0.95 ERN1 (0.92) ERN1
SCHEMBL25071879 0.94 ERN1 (0.88) ERN1
SCHEMBL21908862 0.94 ERN1 (0.88) ERN1
SCHEMBL30143152 0.94 ERN1 (0.88) ERN1
Hydrochloric Acid SCHEMBL27237796 0.94 ERN1 (0.99) ERN1

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