SCHEMBL2858032

SCHEMBL2858032

NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccc(Br)cc3c3c2=CC(=O)[N]C=3)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
EGFR P00533 3/20 0.34
KDR P35968 2/20 0.34
NT5E P21589 1/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA12 O43570 2/20 0.32
AURKB Q96GD4 1/20 0.31
MEN1 O00255 2/20 0.30
RXFP1 Q9HBX9 2/20 0.30
PLK1 P53350 1/20 0.30
CA7 P43166 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2867747 0.88 JAK2 (0.46) JAK2EGFRKDRCA1CA2
SCHEMBL2862232 0.74 JAK2 (0.73) JAK2
SCHEMBL2856662 0.74 SRC (0.32) KDRNT5EMAPTHTT
SCHEMBL2867090 0.73 JAK2 (0.34) JAK2CA1CA2
SCHEMBL2856300 0.72 TDO2 (0.37) JAK2CA1CA2
SCHEMBL2868692 0.68 MAPT (0.36) KDRMAPT
SCHEMBL3501611 0.63 JAK2 (0.74) JAK2
SCHEMBL3502112 0.61 JAK2 (1.00) JAK2
SCHEMBL2870458 0.60 JAK2 (0.70) JAK2
SCHEMBL2862231 0.58 JAK2 (0.59) JAK2

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-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed