SCHEMBL2863267

SCHEMBL2863267

Cc1cc(C)c(S(=O)(=O)NC2CC2)cc1Nc1nc2ccc(F)cc2c2c1=CC(=O)[N]C=2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
USP30 Q70CQ3 1/20 0.35
BRD4 O60885 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDH2 P48735 1/20 0.32
MAP2K4 P45985 2/20 0.32
MAP2K7 O14733 1/20 0.32
ATM Q13315 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
KCNH2 Q12809 1/20 0.31
CSNK2A1 P68400 1/20 0.31
GPR6 P46095 1/20 0.30
TP53 P04637 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
SCHEMBL3501760 0.80 JAK2 (0.62) JAK2KCNH2
SCHEMBL2858246 0.75 MAPT (0.43) CSNK2A1
SCHEMBL2870379 0.75 LYN (0.34) GPR6
SCHEMBL2867747 0.68 JAK2 (0.46) JAK2
SCHEMBL3501388 0.66 JAK2 (0.55) JAK2KCNH2
SCHEMBL2856300 0.66 TDO2 (0.37) JAK2
SCHEMBL2865418 0.64 SRC (0.39) KCNH2TP53
SCHEMBL2877648 0.64 JAK2 (0.52) JAK2HTTTP53
SCHEMBL2875525 0.63 JAK2 (0.50) JAK2TP53
SCHEMBL11981771 0.61 JAK2 (0.48) 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 4 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 claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed
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