SCHEMBL2513286

SCHEMBL2513286

COc1ccc(-c2ccc3cnc(Nc4ccc5c(c4)NC(=O)CC5)nn23)cn1.COc1ccc(-c2ccc3cnc(O)nn23)cn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.55
PTK2 Q05397 2/20 0.49
INSR P06213 4/20 0.43
ALK Q9UM73 4/20 0.43
NUAK1 O60285 1/20 0.40
CRBN Q96SW2 1/20 0.38
CYP3A4 P08684 1/20 0.37
SYK P43405 1/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL521430 0.95 JAK2 (0.60) JAK2PTK2INSRALKNUAK1
SCHEMBL521616 0.82 JAK2 (0.57) JAK2PTK2INSRALKCRBN
SCHEMBL519827 0.80 JAK2 (0.56) JAK2PTK2INSRALKCYP3A4
SCHEMBL520120 0.80 JAK2 (0.61) JAK2PTK2INSRALKCYP3A4
SCHEMBL16530525 0.78 JAK2 (0.51) JAK2PTK2INSRALKCRBN
SCHEMBL531103 0.76 JAK2 (0.73) JAK2PTK2INSRALKCYP3A4
SCHEMBL520953 0.76 JAK2 (0.73) JAK2PTK2INSRALKCYP3A4
SCHEMBL521759 0.76 JAK2 (0.59) JAK2PTK2INSRALKCYP3A4
SCHEMBL520799 0.75 JAK2 (0.71) JAK2PTK2INSRALKCYP3A4
SCHEMBL521246 0.75 JAK2 (0.52) JAK2PTK2INSRALKJAK1

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