SCHEMBL3262435

SCHEMBL3262435

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.55
▸ JAK1 P23458 2/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ JAK3 P52333 5/20 0.47
▸ PTK2 Q05397 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ AURKA O14965 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ AHR P35869 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
SCHEMBL7974556 0.89 MEN1 (0.55) JAK2JAK1KDM4EMEN1HPGD
SCHEMBL3262347 0.86 JAK2 (0.61) JAK2JAK1TYK2RXFP1JAK3
SCHEMBL2144680 0.85 JAK2 (0.51) JAK2JAK1MEN1KMT2ARXFP1
SCHEMBL3303680 0.85 JAK2 (0.49) JAK2JAK1TYK2JAK3PTK2
SCHEMBL7964132 0.84 JAK2 (0.49) JAK2JAK1TYK2KDM4EMEN1
SCHEMBL3309865 0.83 JAK2 (0.71) JAK2JAK1TYK2JAK3PTK2
SCHEMBL3261713 0.82 JAK1 (0.64) JAK2JAK1KDM4EKMT2AJAK3
SCHEMBL3263824 0.81 JAK2 (0.69) JAK2JAK1TYK2JAK3PTK2
SCHEMBL7977699 0.81 JAK2 (0.71) JAK2JAK1TYK2JAK3PTK2
SCHEMBL3655773 0.81 JAK2 (0.84) JAK2JAK1TYK2JAK3PTK2

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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