SCHEMBL3261150

SCHEMBL3261150

O=[N+]([O-])c1ccc(Nc2nc3cccc(Br)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.47
▸ JAK2 O60674 3/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ PTK2 Q05397 2/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ PIK3CA P42336 2/20 0.44
▸ PIK3CB P42338 2/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNH3 Q9ULD8 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL3266110 0.81 JAK2 (0.55) PLK1JAK2JAK3PTK2KMT2A
SCHEMBL3263724 0.80 JAK2 (0.45) JAK2JAK3PTK2HPGDALOX12
SCHEMBL3262347 0.78 JAK2 (0.61) JAK2JAK3PTK2RAB9AMAPT
SCHEMBL3303680 0.77 JAK2 (0.49) JAK2JAK3PTK2JAK1AHR
SCHEMBL3299482 0.76 JAK2 (0.48) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL3304305 0.76 EGLN2 (0.47) JAK2JAK3PTK2CYP3A4CYP2D6
SCHEMBL3262435 0.75 JAK2 (0.55) JAK2JAK3PTK2KMT2AMEN1
SCHEMBL2144680 0.75 JAK2 (0.51) JAK2JAK3PTK2KMT2AMEN1
SCHEMBL3655545 0.74 JAK2 (0.44) JAK2JAK3PTK2KDM4ENPSR1
SCHEMBL7964132 0.74 JAK2 (0.49) JAK2JAK3PTK2KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
WO-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
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