SCHEMBL2465635

SCHEMBL2465635

COC(=O)c1cc(-c2ccc(C)nc2)nc2c1[nH]c1cc(N3CCSCC3(O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.54
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL2468250 0.91 JAK2 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL144563 0.80 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL144564 0.80 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL2471310 0.78 PLA2G2A (0.34) JAK2
SCHEMBL145138 0.77 JAK2 (0.73) JAK2JAK1TYK2JAK3
SCHEMBL145472 0.74 JAK2 (0.71) JAK2JAK1TYK2JAK3
SCHEMBL2468088 0.74 JAK2 (0.71) JAK2
SCHEMBL140797 0.73 JAK2 (0.69) JAK2JAK1TYK2JAK3
SCHEMBL140796 0.73 JAK2 (0.69) JAK2JAK1TYK2JAK3
SCHEMBL141686 0.73 JAK2 (0.69) JAK2JAK1TYK2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed