SCHEMBL2559903

SCHEMBL2559903

Cc1nccc(B(O)O)c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.44
SLC6A7 Q99884 1/20 0.43
KCNH2 Q12809 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
NPY5R Q15761 1/20 0.41
CLK2 P49760 1/20 0.41
HASPIN Q8TF76 1/20 0.41
GRM5 P41594 1/20 0.40
DHODH Q02127 4/20 0.40
S1PR1 P21453 1/20 0.39
XDH P47989 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL15331192 0.86 KCNH2 (0.44) DYRK1ASLC6A7KCNH2SCN10ANPY5R
SCHEMBL2558555 0.85 NPSR1 (0.41) KCNH2SCN10ASCN9A
SCHEMBL2552141 0.82 DYRK1A (0.44) DYRK1ASLC6A7KCNH2SCN10ANPY5R
SCHEMBL2559752 0.80 BRD4 (0.49) SLC6A7XDH
SCHEMBL2560837 0.79 KCNH2 (0.43) DYRK1ASLC6A7KCNH2SCN10ANPY5R
SCHEMBL2558014 0.76 DYRK1A (0.43) DYRK1AKCNH2SCN10ANPY5RCLK2
SCHEMBL2559483 0.75 TRPV3 (0.47) DYRK1AKCNH2SCN10ACLK2HASPIN
SCHEMBL2555305 0.74 DYRK1A (0.47) DYRK1AKCNH2SCN10ANPY5RGRM5
SCHEMBL2560373 0.74 DHODH (0.47) DYRK1AKCNH2SCN10ANPY5RDHODH
SCHEMBL15730155 0.74 DHODH (0.51) DYRK1ASLC6A7KCNH2SCN10ANPY5R

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