SCHEMBL2536859

SCHEMBL2536859

CNS(=O)(=O)c1ncc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)n2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
PTK2 Q05397 1/20 0.38
TP53 P04637 7/20 0.38
PIK3C3 Q8NEB9 2/20 0.37
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PHGDH O43175 1/20 0.33

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
SCHEMBL2536858 0.90 JAK2 (0.40) JAK2PTK2INSRALK
SCHEMBL521540 0.81 POLB (0.42) JAK2PTK2TP53PIK3C3MAPT
SCHEMBL2533533 0.81 ALOX5AP (0.39) JAK2INSRALK
SCHEMBL520694 0.81 POLB (0.38) JAK2PTK2TP53PIK3C3MAPT
SCHEMBL521225 0.79 POLB (0.36) JAK2PTK2TP53PIK3C3MAPT
SCHEMBL2530064 0.77 DYRK3 (0.41) JAK2PTK2INSRALK
SCHEMBL522096 0.76 JAK2 (0.61) JAK2PTK2INSRALK
SCHEMBL521632 0.75 PIK3C3 (0.47) JAK2PTK2TP53PIK3C3INSR
SCHEMBL2533530 0.73 ALK (0.38) JAK2INSRALK
SCHEMBL522726 0.73 INSR (0.44) 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