SCHEMBL2364579

SCHEMBL2364579

N#CCC(=O)N1CCCC(Nc2nc(-c3cnn4ccncc34)ncc2F)C1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.60
JAK1 P23458 20/20 0.60
JAK3 P52333 20/20 0.60

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
SCHEMBL2234867 1.00 JAK2 (0.60) JAK2JAK1JAK3
SCHEMBL2232596 0.91 JAK2 (0.56) JAK2JAK1JAK3
SCHEMBL2232556 0.91 JAK2 (0.59) JAK2JAK1JAK3
SCHEMBL12346453 0.90 JAK2 (0.54) JAK2JAK1JAK3
SCHEMBL2344436 0.89 JAK2 (0.75) JAK2JAK1JAK3
SCHEMBL2235531 0.89 JAK2 (0.54) JAK2JAK1JAK3
SCHEMBL15167232 0.89 JAK2 (0.75) JAK2JAK1JAK3
SCHEMBL16669034 0.88 JAK2 (0.51) JAK2JAK1JAK3
SCHEMBL2233140 0.85 JAK2 (0.61) JAK2JAK1JAK3
SCHEMBL2301729 0.85 JAK2 (0.61) 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