SCHEMBL2508069

SCHEMBL2508069

COc1ccc(-c2ccc3cnc(Nc4ccc(C5CCN(C)CC5)c(C)c4)nn23)cn1.COc1ccc(-c2ccc3cnc(OS(=O)(=O)C(F)(F)F)nn23)cn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.55
PTK2 Q05397 5/20 0.50
INSR P06213 3/20 0.40
ALK Q9UM73 3/20 0.40
NPM1 P06748 1/20 0.40

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
SCHEMBL519612 0.89 JAK2 (0.66) JAK2PTK2INSRALKNPM1
SCHEMBL520938 0.81 JAK2 (0.66) JAK2PTK2INSRALKNPM1
SCHEMBL520361 0.78 JAK2 (0.80) JAK2PTK2INSRALKNPM1
SCHEMBL520772 0.78 JAK2 (0.44) JAK2PTK2INSRALK
SCHEMBL520999 0.78 JAK2 (0.59) JAK2PTK2INSRALK
SCHEMBL2512061 0.78 JAK2 (0.51) JAK2PTK2INSRALK
SCHEMBL521803 0.77 JAK2 (0.76) JAK2PTK2INSRALKNPM1
SCHEMBL521698 0.75 JAK2 (0.63) JAK2PTK2INSRALK
SCHEMBL520689 0.74 ALK (0.69) JAK2PTK2INSRALKNPM1
SCHEMBL521664 0.74 JAK2 (0.72) JAK2PTK2INSRALK

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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed