SCHEMBL7977319

SCHEMBL7977319

CC(=O)Nc1ccc(Nc2nc3cccc(-c4ccc(C(F)(F)F)cc4)n3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.72
JAK2 O60674 14/20 0.61
JAK3 P52333 8/20 0.58
PTK2 Q05397 6/20 0.58
EGLN2 Q96KS0 1/20 0.54
RORC P51449 2/20 0.52

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
SCHEMBL2144825 0.88 JAK1 (0.80) JAK1JAK2JAK3PTK2EGLN2
SCHEMBL3192870 0.86 JAK2 (0.63) JAK1JAK2JAK3PTK2RORC
SCHEMBL3208463 0.86 JAK2 (0.70) JAK1JAK2JAK3PTK2RORC
SCHEMBL3205526 0.85 JAK2 (0.58) JAK1JAK2JAK3PTK2
SCHEMBL7980632 0.84 JAK1 (1.00) JAK1JAK2JAK3PTK2EGLN2
SCHEMBL7975885 0.83 EGLN2 (0.80) JAK1JAK2JAK3PTK2EGLN2
SCHEMBL3301043 0.80 JAK1 (0.48) JAK1JAK2JAK3PTK2EGLN2
SCHEMBL3204030 0.80 JAK2 (0.75) JAK1JAK2JAK3PTK2
SCHEMBL17685333 0.80 JAK2 (0.51) JAK1JAK2JAK3PTK2
SCHEMBL16248942 0.79 JAK2 (0.60) JAK1JAK2JAK3PTK2

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