SCHEMBL3262347

SCHEMBL3262347

O=C(O)c1ccc(Nc2nc3cccc(Br)n3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.61
▸ JAK3 P52333 5/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ PTK2 Q05397 2/20 0.47
▸ GSK3B P49841 5/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ AURKA O14965 4/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ GSK3A P49840 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ RHOA P61586 1/20 0.43

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
SCHEMBL3303680 0.88 JAK2 (0.49) JAK2JAK3JAK1TYK2PTK2
SCHEMBL2144680 0.86 JAK2 (0.51) JAK2JAK3JAK1PTK2RXFP1
SCHEMBL3262435 0.86 JAK2 (0.55) JAK2JAK3JAK1TYK2PTK2
SCHEMBL7964132 0.85 JAK2 (0.49) JAK2JAK3JAK1TYK2PTK2
SCHEMBL3266110 0.84 JAK2 (0.55) JAK2JAK3JAK1TYK2PTK2
SCHEMBL3200947 0.84 JAK2 (0.83) JAK2JAK3JAK1PTK2
SCHEMBL3261713 0.83 JAK1 (0.64) JAK2JAK3JAK1PTK2SMN1; SMN2
SCHEMBL3303044 0.83 JAK2 (0.77) JAK2JAK3JAK1PTK2
SCHEMBL7974556 0.82 MEN1 (0.55) JAK2JAK1NPC1RAB9ASMN1; SMN2
SCHEMBL3263724 0.81 JAK2 (0.45) JAK2JAK3JAK1PTK2SMN1; SMN2

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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