SCHEMBL2563019

SCHEMBL2563019

OB(O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.57
IDO1 P14902 1/20 0.48
SCN2A Q99250 2/20 0.47
DYRK1A Q13627 4/20 0.44
DYRK2 Q92630 4/20 0.44
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
KMO O15229 2/20 0.43
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PARP1 P09874 1/20 0.41
CES2 O00748 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL2563692 0.80 MGLL (0.57) MGLLSCN2ADYRK1ADYRK2ALDH1A1
SCHEMBL2563179 0.80 HPGDS (0.51) MGLLIDO1KMO
SCHEMBL40311 0.79 TSHR (0.53) IDO1SCN2ADYRK1ADYRK2HRH1
SCHEMBL3227740 0.78 KMO (0.56) IDO1SCN2AKMOALDH1A1PARP1
SCHEMBL7210508 0.78 IDO1 (0.53) IDO1SCN2ADYRK1AKMOHRH1
SCHEMBL29952487 0.77 MGLL (0.65) MGLLKMO
SCHEMBL2557747 0.76 IDO1 (0.44) MGLLIDO1SCN2ADYRK1ADYRK2
SCHEMBL2559693 0.76 RAB9A (0.46) MGLLIDO1KMOALDH1A1ADORA1
SCHEMBL28461127 0.75 IDO1 (0.50) IDO1SCN2AKMOHRH1HRH4
SCHEMBL22405034 0.75 MGLL (0.53) MGLLALDH1A1L3MBTL1GAA

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