SCHEMBL3265099

SCHEMBL3265099

COc1cc(-c2cccn3nc(N)nc23)ccn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.68
ACVR2A P27037 12/20 0.49
TGFBR2 P37173 11/20 0.49
TGFBR1 P36897 4/20 0.49
NUDT1 P36639 1/20 0.46
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL2640390 0.81 JAK2 (1.00) JAK2NUDT1JAK1JAK3
SCHEMBL3261792 0.81 JAK2 (0.66) JAK2NUDT1JAK1JAK3
SCHEMBL1691331 0.80 JAK2 (0.62) JAK2TGFBR2NUDT1JAK1JAK3
SCHEMBL1691216 0.78 JAK2 (0.68) JAK2NUDT1JAK1JAK3
SCHEMBL2640477 0.77 JAK2 (1.00) JAK2NUDT1JAK1JAK3
SCHEMBL13535522 0.74 JAK1 (0.65) JAK2ACVR2ATGFBR2TGFBR1JAK1
SCHEMBL18367046 0.73 JAK2 (0.77) JAK2NUDT1JAK1JAK3
SCHEMBL2640397 0.73 JAK2 (1.00) JAK2NUDT1JAK3
SCHEMBL2257705 0.73 JAK2 (0.64) JAK2NUDT1JAK1JAK3
SCHEMBL30042559 0.72 IDO1 (0.48) ACVR2ATGFBR2TGFBR1

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-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed