SCHEMBL2557950

SCHEMBL2557950

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.56
KCNH2 Q12809 4/20 0.46
PDGFRB P09619 3/20 0.42
KDR P35968 3/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
PIK3CA P42336 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPK1 P28482 1/20 0.40
KIF11 P52732 2/20 0.40
USP7 Q93009 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK2 O96017 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
SCHEMBL2559978 0.85 ADORA2A (0.49) MAP4K4PDGFRBKDRALOX5APFEN1
SCHEMBL2561948 0.83 MAP4K4 (0.54) MAP4K4KCNH2MINK1USP7ALDH1A1
SCHEMBL2554311 0.82 MAP4K4 (0.43) MAP4K4KCNH2ALOX5APFEN1MINK1
SCHEMBL29951774 0.81 CHEK2 (0.51) MAP4K4KCNH2PIK3CAMINK1MAPK1
SCHEMBL29951522 0.80 MAP4K4 (0.51) MAP4K4PDGFRBKDRUSP7CHEK2
SCHEMBL2458921 0.79 PTGS2 (0.45) ALOX5APFEN1ALDH1A1POLBL3MBTL1
SCHEMBL8981695 0.77 MAP4K4 (0.57) MAP4K4KCNH2PDGFRBKDRALOX5AP
SCHEMBL2224558 0.77 MAP4K4 (0.57) MAP4K4KCNH2PDGFRBKDRALOX5AP
SCHEMBL15333189 0.75 ATR (0.42) ALOX5APFEN1MAPK1ALDH1A1
SCHEMBL2560884 0.75 MAP4K4 (0.54) MAP4K4KCNH2ALOX5APFEN1PIK3CA

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