SCHEMBL2562852

SCHEMBL2562852

Nc1cc(C=O)c(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 0.56
ALOX5AP P20292 11/20 0.56
MAP4K4 O95819 1/20 0.44
NPBWR1 P48145 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
KIF11 P52732 1/20 0.40
EGFR P00533 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL2558043 0.85 ALOX5AP (0.53) FEN1ALOX5APNOS3NOS2EGFR
SCHEMBL2562642 0.83 ALOX5AP (0.44) FEN1ALOX5APMAP4K4
SCHEMBL2555064 0.82 ALOX5AP (0.45) FEN1ALOX5AP
SCHEMBL29953780 0.81 ERN1 (0.42) FEN1ALOX5APMAP4K4
SCHEMBL29955163 0.80 FGFR1 (0.47) FEN1ALOX5APMAP4K4
SCHEMBL2553149 0.75 ALOX5AP (0.45) FEN1ALOX5APEGFR
SCHEMBL2560884 0.75 MAP4K4 (0.54) FEN1ALOX5APMAP4K4NPBWR1KIF11
SCHEMBL2552689 0.73 ALOX5AP (0.42) FEN1ALOX5APMAP4K4CDK5
SCHEMBL2557950 0.73 MAP4K4 (0.56) FEN1ALOX5APMAP4K4KIF11
SCHEMBL29955239 0.73 ALOX5AP (0.39) FEN1ALOX5APNOS3NOS2EGFR

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