SCHEMBL16530596

SCHEMBL16530596

CC(C)(C)OC(=O)ON1CCC[C@@H]1COc1cc(Nc2ncc3ccc(-c4cccc(S(C)(=O)=O)c4)n3n2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.52
PTK2 Q05397 10/20 0.52
JAK3 P52333 5/20 0.38

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
SCHEMBL16530421 1.00 JAK2 (0.52) JAK2PTK2JAK3
SCHEMBL521424 0.90 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL521013 0.90 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL521014 0.90 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL521713 0.86 JAK2 (0.55) JAK2PTK2JAK3
SCHEMBL519670 0.81 JAK2 (0.65) JAK2PTK2JAK3
SCHEMBL521354 0.80 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL521985 0.80 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL521353 0.80 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL16530353 0.76 JAK2 (0.58) JAK2PTK2JAK3

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP claimed