SCHEMBL2544753

SCHEMBL2544753

CN(c1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)nn12)S(C)(=O)=O.CNS(=O)(=O)Cc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)nn12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.58
ALK Q9UM73 14/20 0.56
INSR P06213 6/20 0.56
CYP3A4 P08684 1/20 0.56
PTK2 Q05397 1/20 0.50
NPM1 P06748 9/20 0.48
KCNH2 Q12809 1/20 0.44

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
SCHEMBL521216 0.92 JAK2 (0.67) JAK2ALKINSRCYP3A4PTK2
SCHEMBL2544751 0.88 JAK2 (0.59) JAK2ALKINSRCYP3A4PTK2
SCHEMBL520100 0.79 JAK2 (0.64) JAK2ALKINSRCYP3A4PTK2
SCHEMBL521083 0.76 JAK2 (0.69) JAK2ALKINSRCYP3A4PTK2
SCHEMBL521627 0.75 JAK2 (0.61) JAK2ALKINSRCYP3A4PTK2
SCHEMBL520390 0.74 JAK2 (0.70) JAK2ALKINSRCYP3A4PTK2
SCHEMBL521070 0.74 JAK2 (0.62) JAK2ALKINSRCYP3A4PTK2
SCHEMBL520357 0.74 JAK2 (0.71) JAK2ALKINSRCYP3A4PTK2
SCHEMBL521939 0.74 JAK2 (1.00) JAK2ALKINSRCYP3A4PTK2
SCHEMBL520910 0.73 JAK2 (0.59) JAK2ALKINSRCYP3A4PTK2

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-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed