SCHEMBL21089898

SCHEMBL21089898

Pc1n[nH]c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 19/20 0.50
ITK Q08881 1/20 0.46

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
SCHEMBL2118781 0.75 GRM4 (0.53) GRM4
SCHEMBL30018038 0.75 GRM4 (0.54) GRM4ITK
SCHEMBL2117743 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL516990 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL254887 0.75 GRM4 (0.54) GRM4ITK
SCHEMBL24198014 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL29498332 0.75 PDPK1 (0.52) GRM4ITK
SCHEMBL569822 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL31526891 0.75 GRM4 (0.54) GRM4
SCHEMBL123148 0.75 PDPK1 (0.52) GRM4ITK

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-2019110663-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2019-06-13 WO disclosed