SCHEMBL7964535

SCHEMBL7964535

COc1ccc(-c2cccc3nc(Nc4ccc(-c5ccc(CN6CCOCC6)cc5)nc4)nn23)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.66
JAK3 P52333 13/20 0.66
PTK2 Q05397 12/20 0.66
JAK1 P23458 2/20 0.54
TYK2 P29597 1/20 0.54
ACP1 P24666 2/20 0.53
MCHR1 Q99705 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
SCHEMBL7974148 0.88 JAK2 (0.69) JAK2JAK3PTK2JAK1TYK2
SCHEMBL7980038 0.85 JAK2 (0.60) JAK2JAK3PTK2JAK1TYK2
SCHEMBL7977326 0.85 JAK2 (0.59) JAK2JAK3PTK2JAK1TYK2
SCHEMBL7963973 0.82 JAK2 (0.64) JAK2JAK3PTK2JAK1TYK2
SCHEMBL13536681 0.82 JAK2 (0.68) JAK2JAK3PTK2JAK1TYK2
SCHEMBL13073243 0.81 JAK2 (0.71) JAK2JAK3PTK2JAK1
SCHEMBL3214576 0.81 JAK2 (0.63) JAK2JAK3PTK2JAK1TYK2
SCHEMBL1423080 0.81 JAK2 (0.77) JAK2JAK3PTK2JAK1TYK2
SCHEMBL2640617 0.81 JAK2 (0.85) JAK2JAK3PTK2JAK1TYK2
SCHEMBL2640619 0.80 JAK2 (1.00) JAK2JAK3PTK2JAK1TYK2

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