SCHEMBL2558014

SCHEMBL2558014

Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.43
KCNH2 Q12809 2/20 0.43
KCNA5 P22460 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
NPY5R Q15761 1/20 0.40
GRM5 P41594 1/20 0.40
DHODH Q02127 1/20 0.39
NTRK1 P04629 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CLK2 P49760 1/20 0.38
HASPIN Q8TF76 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
SCHEMBL2562536 0.85 KCNH2 (0.43) DYRK1AKCNH2KCNA5SCN10ANPY5R
SCHEMBL2556058 0.84 TRPV1 (0.47) KCNH2SCN10A
SCHEMBL2552141 0.84 DYRK1A (0.44) DYRK1AKCNH2KCNA5SCN10ANPY5R
SCHEMBL15330557 0.81 TDO2 (0.46) KCNH2KCNA5
SCHEMBL2560837 0.80 KCNH2 (0.43) DYRK1AKCNH2KCNA5SCN10ANPY5R
SCHEMBL10094730 0.79 KCNH2 (0.54) DYRK1AKCNH2KCNA5SCN10ANPY5R
SCHEMBL2560373 0.76 DHODH (0.47) DYRK1AKCNH2KCNA5SCN10ANPY5R
SCHEMBL2559903 0.76 DYRK1A (0.44) DYRK1AKCNH2SCN10ANPY5RGRM5
SCHEMBL2552853 0.74 DYRK1A (0.42) DYRK1AKCNH2SCN10AGRM5PDE4A
SCHEMBL2555305 0.73 DYRK1A (0.47) DYRK1AKCNH2SCN10ANPY5RGRM5

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