SCHEMBL2555064

SCHEMBL2555064

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
ABL1 P00519 5/20 0.40
KCNH2 Q12809 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SCN10A Q9Y5Y9 3/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
BTK Q06187 1/20 0.38
CCNT1 O60563 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
SCHEMBL15332445 0.86 XDH (0.44) ALOX5APFEN1ABL1KCNH2SCN10A
SCHEMBL2562852 0.82 FEN1 (0.56) ALOX5APFEN1
SCHEMBL2562642 0.80 ALOX5AP (0.44) ALOX5APFEN1ABL1
SCHEMBL2560097 0.77 ALOX5AP (0.48) ALOX5APFEN1SCN10ASCN9A
SCHEMBL2557668 0.77 CA12 (0.47) ALOX5APFEN1ABL1KCNH2JAK2
SCHEMBL22451471 0.77 ALOX5AP (0.46) ALOX5APFEN1ABL1KCNH2JAK2
SCHEMBL29955163 0.76 FGFR1 (0.47) ALOX5APFEN1
SCHEMBL22444290 0.76 ALOX5AP (0.45) ALOX5APFEN1ABL1KCNH2SCN10A
SCHEMBL2554311 0.76 MAP4K4 (0.43) ALOX5APFEN1KCNH2JAK2JAK1
SCHEMBL21426828 0.75 JAK2 (0.48) ALOX5APFEN1ABL1KCNH2JAK2

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