SCHEMBL2559138

SCHEMBL2559138

Nc1ncc(-c2cccc(OC(F)(F)F)c2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
XDH P47989 1/20 0.45
KCNH2 Q12809 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
MAP4K4 O95819 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
DYRK1A Q13627 4/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
NPY5R Q15761 1/20 0.41
BTK Q06187 1/20 0.41
TYRO3 Q06418 1/20 0.40
FYN P06241 1/20 0.40
DHFR P00374 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL2557668 0.85 CA12 (0.47) KCNH2SCN10AMAP4K4
SCHEMBL2562225 0.80 PARP1 (0.49) ATRXDHADORA2AADORA1GRIN1
SCHEMBL2556015 0.79 CHEK2 (0.52) ATRMAP4K4FYNDHFRCHEK2
SCHEMBL15332445 0.79 XDH (0.44) ATRXDHKCNH2SCN10ACYP11B1
SCHEMBL2554637 0.79 ADORA1 (0.46) ATRXDHKCNH2SCN10AMAP4K4
SCHEMBL31356703 0.77 DYRK1A (0.44) ATRXDHKCNH2SCN10ADYRK1A
SCHEMBL2557550 0.77 ALOX5AP (0.47) SCN10A
SCHEMBL14276837 0.76 MAP4K4 (0.49) MAP4K4FYNCHEK2
SCHEMBL29955261 0.76 MAP4K4 (0.49) MAP4K4FYNCHEK2
SCHEMBL4025534 0.75 MAP4K4 (0.57) ATRXDHKCNH2SCN10AMAP4K4

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