SCHEMBL2344577

SCHEMBL2344577

CCCCOC(=O)N1CCCC(Nc2ccnc(-c3cnn4ccc(C#N)cc34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.49
JAK1 P23458 20/20 0.49
JAK3 P52333 20/20 0.49

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
SCHEMBL2231030 0.87 JAK2 (0.48) JAK2JAK1JAK3
SCHEMBL2231033 0.87 JAK2 (0.48) JAK2JAK1JAK3
SCHEMBL2234535 0.87 EGLN2 (0.51) JAK2JAK1JAK3
SCHEMBL15167201 0.86 JAK2 (0.48) JAK2JAK1JAK3
SCHEMBL2234558 0.85 JAK2 (0.60) JAK2JAK1JAK3
SCHEMBL2364610 0.83 JAK2 (0.55) JAK2JAK1JAK3
SCHEMBL2232659 0.83 JAK2 (0.55) JAK2JAK1JAK3
SCHEMBL2346126 0.81 JAK1 (0.49) JAK2JAK1JAK3
SCHEMBL2346123 0.81 JAK1 (0.49) JAK2JAK1JAK3
SCHEMBL2231296 0.77 JAK2 (0.41) JAK2JAK1JAK3

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-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 EP disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO disclosed