SCHEMBL2561948

SCHEMBL2561948

Nc1ncc(C=O)cc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.54
FYN P06241 3/20 0.45
CHEK2 O96017 2/20 0.44
USP7 Q93009 3/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.42
TDO2 P48775 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29951522 0.83 MAP4K4 (0.51) MAP4K4FYNCHEK2USP7MKNK1
SCHEMBL2558901 0.83 CHEK2 (0.53) MAP4K4FYNCHEK2USP7MKNK1
SCHEMBL2557950 0.83 MAP4K4 (0.56) MAP4K4CHEK2USP7ALDH1A1L3MBTL1
SCHEMBL29951774 0.82 CHEK2 (0.51) MAP4K4FYNCHEK2USP7CYP1A2
SCHEMBL2554311 0.80 MAP4K4 (0.43) MAP4K4FYNCHEK2KCNH2MINK1
SCHEMBL29973001 0.78 MAP4K4 (0.56) MAP4K4FYNCHEK2USP7TDO2
SCHEMBL29951470 0.77 PIK3CA (0.33) MAP4K4ALDH1A1L3MBTL1
SCHEMBL2554196 0.76 USP7 (0.41) MAP4K4USP7ALDH1A1L3MBTL1DRD2
SCHEMBL29952012 0.75 CHEK2 (0.54) MAP4K4FYNCHEK2ALDH1A1TDO2
SCHEMBL28032602 0.75 CYP2A6 (0.57) MAP4K4FYNCHEK2USP7TDO2

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