SCHEMBL2552853

SCHEMBL2552853

Cc1ccc(B(O)O)c(-c2cccc(OC(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.42
CLK2 P49760 1/20 0.42
HASPIN Q8TF76 1/20 0.42
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
XDH P47989 1/20 0.41
KCNH2 Q12809 2/20 0.40
GRM2 Q14416 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
PHGDH O43175 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
USP7 Q93009 1/20 0.39
GRM5 P41594 1/20 0.39
POLQ O75417 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
SCHEMBL2560758 0.86 XDH (0.40) DYRK1APDE4BPDE4APDE4DXDH
SCHEMBL2557332 0.83 GRM2 (0.40) GRM2SCN10A
SCHEMBL2553757 0.80 MGLL (0.45) XDHCTSS
SCHEMBL2559483 0.79 TRPV3 (0.47) DYRK1ACLK2HASPINXDHKCNH2
SCHEMBL2552141 0.78 DYRK1A (0.44) DYRK1APDE4BPDE4APDE4DKCNH2
SCHEMBL2560373 0.78 DHODH (0.47) DYRK1AKCNH2SCN10A
SCHEMBL2559409 0.75 XDH (0.48) DYRK1ACLK2HASPINXDHKCNH2
SCHEMBL2560584 0.75 TRPV3 (0.46) DYRK1ACLK2HASPINXDHKCNH2
SCHEMBL10203124 0.75 XDH (0.52) DYRK1ACLK2HASPINXDHKCNH2
SCHEMBL2558014 0.74 DYRK1A (0.43) DYRK1ACLK2HASPINPDE4BPDE4A

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