SCHEMBL7977445

SCHEMBL7977445

NC(=O)c1ccc(Nc2nc3cccc(-c4ccc(O)cc4)n3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.62
JAK3 P52333 8/20 0.60
PTK2 Q05397 7/20 0.60
JAK1 P23458 5/20 0.56
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
BRAF P15056 1/20 0.48
HTT P42858 1/20 0.48
AURKA O14965 1/20 0.46

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
SCHEMBL2144118 0.91 JAK2 (0.64) JAK2JAK3PTK2JAK1
SCHEMBL2145769 0.91 JAK2 (0.64) JAK2JAK3PTK2JAK1
SCHEMBL3215814 0.90 JAK2 (0.61) JAK2JAK3PTK2JAK1
SCHEMBL2144259 0.89 JAK2 (0.54) JAK2JAK3PTK2JAK1
SCHEMBL7977780 0.87 JAK2 (0.82) JAK2JAK3PTK2JAK1
SCHEMBL3263824 0.86 JAK2 (0.69) JAK2JAK3PTK2JAK1
SCHEMBL3200947 0.84 JAK2 (0.83) JAK2JAK3PTK2JAK1
SCHEMBL2144631 0.84 JAK2 (0.62) JAK2JAK3PTK2JAK1
SCHEMBL3203231 0.83 JAK2 (0.58) JAK2JAK3PTK2JAK1
SCHEMBL3204783 0.83 JAK2 (0.53) JAK2JAK3PTK2JAK1

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 1 patent. 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