SCHEMBL2561699

SCHEMBL2561699

Nc1ccc(-c2cccc(F)c2F)c(C=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.42
BACE1 P56817 1/20 0.38
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
WDR5 P61964 1/20 0.33
GRK6 P43250 1/20 0.33
MPL P40238 1/20 0.33
ERN1 O75460 1/20 0.33
JAK2 O60674 1/20 0.32
DYRK1A Q13627 2/20 0.32
KLKB1 P03952 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL15331108 0.89 BACE1 (0.45) BACE1MPL
SCHEMBL29957918 0.78 BACE1 (0.31) BACE1
SCHEMBL2557472 0.75 BACE1 (0.49) BACE1
SCHEMBL2559406 0.75 MTOR (0.43) BACE1
SCHEMBL2559501 0.73 TDO2 (0.39) BACE1
SCHEMBL29956107 0.73 ASIC3 (0.41) BACE1
SCHEMBL2560903 0.72 SCN10A (0.46) MPL
SCHEMBL15331733 0.71 FEN1 (0.39) REV1BACE1CCNE2CCNE1CDK2
SCHEMBL30883058 0.70 ASIC3 (0.47) REV1BACE1WDR5MPL
SCHEMBL3925102 0.70 ASIC3 (0.47) REV1BACE1WDR5MPL

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