SCHEMBL7985666

SCHEMBL7985666

CC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.66
JAK1 P23458 5/20 0.63
JAK3 P52333 7/20 0.56
PTK2 Q05397 6/20 0.56
CHRNA7 P36544 1/20 0.48
ABL1 P00519 1/20 0.47

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
SCHEMBL3193345 0.91 JAK2 (0.76) JAK2JAK1JAK3PTK2
SCHEMBL3215657 0.90 JAK2 (0.63) JAK2JAK1JAK3PTK2ABL1
SCHEMBL3192928 0.89 JAK2 (0.62) JAK2JAK1JAK3PTK2
SCHEMBL7977771 0.88 JAK2 (0.84) JAK2JAK1JAK3PTK2
SCHEMBL3205724 0.85 JAK2 (0.57) JAK2JAK1JAK3PTK2
SCHEMBL3214773 0.84 JAK2 (0.56) JAK2JAK1JAK3PTK2
SCHEMBL16248909 0.83 JAK2 (0.64) JAK2JAK1JAK3PTK2
SCHEMBL3201060 0.83 JAK2 (0.63) JAK2JAK1JAK3PTK2
SCHEMBL3194461 0.83 JAK1 (0.64) JAK2JAK1JAK3PTK2
SCHEMBL3213754 0.81 JAK1 (0.54) JAK2JAK1JAK3PTK2

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