SCHEMBL7977784

SCHEMBL7977784

Nc1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.60
JAK3 P52333 11/20 0.60
PTK2 Q05397 11/20 0.60
JAK1 P23458 2/20 0.54
TYK2 P29597 1/20 0.49

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
SCHEMBL7975073 0.89 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL2145331 0.88 JAK2 (0.60) JAK2JAK3PTK2JAK1TYK2
SCHEMBL2144504 0.88 JAK2 (0.60) JAK2JAK3PTK2JAK1
SCHEMBL7963634 0.88 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL3213810 0.84 JAK2 (0.74) JAK2JAK3PTK2JAK1TYK2
SCHEMBL7974924 0.84 JAK2 (0.74) JAK2JAK3PTK2JAK1TYK2
SCHEMBL13072782 0.84 JAK2 (0.74) JAK2JAK3PTK2JAK1TYK2
SCHEMBL3212126 0.81 JAK2 (0.60) JAK2JAK3PTK2JAK1TYK2
SCHEMBL3204351 0.80 JAK2 (0.78) JAK2JAK3PTK2JAK1
SCHEMBL3215113 0.80 JAK2 (0.78) 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