SCHEMBL13536710

SCHEMBL13536710

O=C(c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.65
JAK3 P52333 7/20 0.65
PTK2 Q05397 6/20 0.58
JAK1 P23458 5/20 0.56
TYK2 P29597 1/20 0.56
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC6A7 Q99884 1/20 0.55

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
SCHEMBL3194154 0.90 JAK2 (0.69) JAK2JAK3PTK2JAK1TYK2
SCHEMBL13536591 0.90 JAK2 (0.68) JAK2JAK3PTK2JAK1TYK2
SCHEMBL13536509 0.82 JAK1 (0.61) JAK2JAK3PTK2JAK1
SCHEMBL3263231 0.82 JAK2 (0.77) JAK2JAK3PTK2JAK1
SCHEMBL2145769 0.80 JAK2 (0.64) JAK2JAK3PTK2JAK1
SCHEMBL7977734 0.80 JAK2 (0.72) JAK2JAK3PTK2JAK1TYK2
SCHEMBL7973523 0.80 JAK2 (0.73) JAK2JAK3PTK2JAK1TYK2
SCHEMBL13536589 0.79 JAK1 (0.66) JAK2JAK3PTK2JAK1TYK2
SCHEMBL2640702 0.79 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL15416898 0.79 JAK2 (0.81) JAK2JAK3PTK2

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-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed