SCHEMBL13535409

SCHEMBL13535409

NCc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.70
JAK2 O60674 12/20 0.52
ABL1 P00519 1/20 0.44

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
SCHEMBL13535427 0.92 JAK1 (0.68) JAK1JAK2
SCHEMBL13535405 0.87 JAK1 (0.72) JAK1JAK2
SCHEMBL13535530 0.87 JAK1 (0.82) JAK1JAK2
SCHEMBL13535386 0.87 JAK1 (0.72) JAK1JAK2
SCHEMBL13535479 0.86 JAK1 (0.71) JAK1JAK2
SCHEMBL13535559 0.85 JAK1 (0.73) JAK1JAK2ABL1
SCHEMBL13535674 0.85 JAK1 (0.65) JAK1JAK2
SCHEMBL3266576 0.85 JAK1 (0.70) JAK1JAK2
SCHEMBL24062654 0.84 JAK1 (0.80) JAK1JAK2
SCHEMBL13535464 0.84 JAK1 (0.68) JAK1JAK2

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