SCHEMBL7965474

SCHEMBL7965474

O=C(Nc1nc2cccc(C3=CN(Cc4ccccc4)NN3)n2n1)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.62
JAK2 O60674 14/20 0.59
JAK3 P52333 4/20 0.58

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
SCHEMBL11916701 0.77 JAK1 (1.00) JAK1JAK2JAK3
SCHEMBL2239260 0.77 JAK1 (1.00) JAK1JAK2JAK3
SCHEMBL2237181 0.76 JAK1 (0.72) JAK1JAK2JAK3
SCHEMBL7963880 0.76 JAK1 (0.65) JAK1JAK2JAK3
SCHEMBL2237531 0.75 JAK2 (1.00) JAK1JAK2JAK3
SCHEMBL13031259 0.74 JAK1 (0.72) JAK1JAK2JAK3
SCHEMBL2244635 0.74 JAK3 (1.00) JAK1JAK2JAK3
SCHEMBL13031302 0.74 JAK3 (0.73) JAK1JAK2JAK3
SCHEMBL2236844 0.73 JAK3 (1.00) JAK1JAK2JAK3
SCHEMBL2243209 0.73 JAK2 (1.00) JAK1JAK2JAK3

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-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed