SCHEMBL2559409

SCHEMBL2559409

Cc1cc(B(O)O)cc(-c2cccc(OC(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
DYRK1A Q13627 8/20 0.44
CLK2 P49760 1/20 0.43
HASPIN Q8TF76 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
GRM5 P41594 1/20 0.40
GRM2 Q14416 1/20 0.39
KCNH2 Q12809 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
SYK P43405 1/20 0.39
ATR Q13535 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
FYN P06241 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
SCHEMBL2559510 0.85 ACP1 (0.47) GRM2SCN10A
SCHEMBL2559240 0.85 XDH (0.48) XDHCTSSCTSKDYRK1AADORA2A
SCHEMBL2559835 0.80 MGLL (0.51) XDHCTSSCTSKADORA2AKCNH2
SCHEMBL10203124 0.79 XDH (0.52) XDHCTSSCTSKDYRK1ACLK2
SCHEMBL2559483 0.78 TRPV3 (0.47) XDHCTSSCTSKDYRK1ACLK2
SCHEMBL2552853 0.75 DYRK1A (0.42) XDHCTSSCTSKDYRK1ACLK2
SCHEMBL2556661 0.75 SCN9A (0.44)
SCHEMBL2560584 0.74 TRPV3 (0.46) XDHCTSSCTSKDYRK1ACLK2
SCHEMBL2555305 0.74 DYRK1A (0.47) XDHCTSSCTSKDYRK1AGRM5
SCHEMBL2553444 0.72 MGLL (0.49) CTSSCTSK

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