SCHEMBL2560338

SCHEMBL2560338

Nc1ncc(-c2cccc(F)c2F)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.39
CNR2 P34972 1/20 0.39
GRIN2B Q13224 6/20 0.38
GRIN1 Q05586 5/20 0.38
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAP4K4 O95819 1/20 0.36

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
SCHEMBL2558231 0.88 ERN1 (0.47) ERN1GRIN2BALOX5APFEN1MAP4K4
SCHEMBL2556015 0.78 CHEK2 (0.52) MAP4K4
SCHEMBL2556458 0.76 BACE1 (0.46) ERN1GRIN2BGRIN1ALOX5APFEN1
SCHEMBL15331733 0.75 FEN1 (0.39) ERN1ALOX5APFEN1
SCHEMBL2554450 0.75 PTPN11 (0.39)
SCHEMBL29955302 0.75 ERN1 (0.34) ERN1ALOX5APFEN1MAP4K4
SCHEMBL2561425 0.74 MAP4K4 (0.51) ERN1GSK3BMAP4K4
SCHEMBL14276837 0.73 MAP4K4 (0.49) GSK3AGSK3BMAP4K4
SCHEMBL29955261 0.73 MAP4K4 (0.49) GSK3AGSK3BMAP4K4
SCHEMBL2557550 0.73 ALOX5AP (0.47) ERN1ALOX5APFEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed