SCHEMBL2525272

SCHEMBL2525272

CCS(=O)(=O)Nc1nn(C)cc1-c1ccc2cnc(SC)nn12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.32
INSR P06213 1/20 0.32
JAK2 O60674 1/20 0.31

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
SCHEMBL2509642 0.81 ALK (0.44) ALKINSRJAK2
SCHEMBL520863 0.75 ALK (0.39) ALKINSRJAK2
SCHEMBL521195 0.69 ALK (0.42) ALKINSRJAK2
SCHEMBL19221933 0.68 FYN (0.41) ALKINSRJAK2
SCHEMBL2523523 0.67 ALK (0.36) ALKINSRJAK2
SCHEMBL521079 0.66 JAK2 (0.45) JAK2
SCHEMBL520606 0.66 ALK (0.55) ALKINSRJAK2
SCHEMBL522170 0.66 JAK2 (0.41) ALKINSRJAK2
SCHEMBL521486 0.66 JAK2 (0.39) ALKINSRJAK2
SCHEMBL520259 0.66 EGLN2 (0.40) ALKINSRJAK2

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