SCHEMBL3266576

SCHEMBL3266576

O=C(O)c1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.70
JAK2 O60674 10/20 0.58
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
JAK3 P52333 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
SCHEMBL13535389 0.91 JAK1 (0.67) JAK1JAK2JAK3
SCHEMBL13535464 0.90 JAK1 (0.68) JAK1JAK2JAK3
SCHEMBL13535405 0.89 JAK1 (0.72) JAK1JAK2JAK3
SCHEMBL13535479 0.88 JAK1 (0.71) JAK1JAK2JAK3
SCHEMBL2237872 0.86 JAK1 (0.68) JAK1JAK2JAK3
SCHEMBL13535537 0.86 JAK1 (0.63) JAK1JAK2JAK3
SCHEMBL13535409 0.85 JAK1 (0.70) JAK1JAK2
SCHEMBL13535438 0.85 JAK1 (0.70) JAK1JAK2JAK3
SCHEMBL13535552 0.85 JAK2 (0.62) JAK1JAK2JAK3
SCHEMBL13535413 0.84 JAK1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed