SCHEMBL2559916

SCHEMBL2559916

OB(O)c1cc(C(F)(F)F)cnc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
DYRK1A Q13627 4/20 0.45
DYRK2 Q92630 4/20 0.45
SCN2A Q99250 2/20 0.44
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
DYRK1B Q9Y463 3/20 0.44
DYRK3 O43781 2/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
KCNA5 P22460 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2556657 0.89 MGLL (0.47) MGLLDYRK1ADYRK2SCN2ACCNA2
SCHEMBL2554380 0.84 DYRK1A (0.44) DYRK1AKCNA5
SCHEMBL2552695 0.83 MGLL (0.43) MGLLDYRK1ADYRK2CCNA2CDK2
SCHEMBL2553174 0.77 KMO (0.48) MGLLDYRK1ADYRK2SCN2AALDH1A1
SCHEMBL2562867 0.77 TDO2 (0.47) MGLLSCN2AALDH1A1L3MBTL1ADORA2A
SCHEMBL2562179 0.77 TDO2 (0.47) MGLLALDH1A1ADORA2AADORA1KCNA5
SCHEMBL2556002 0.76 RAB9A (0.43) SCN2A
SCHEMBL21352400 0.76 GPBAR1 (0.40) MGLLALDH1A1L3MBTL1TDP1GAA
SCHEMBL15332895 0.75 DHODH (0.40) ALDH1A1TDP1KMO
SCHEMBL2553757 0.75 MGLL (0.45) MGLLALDH1A1ADORA2AADORA1TDP1

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