SCHEMBL2867090

SCHEMBL2867090

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.34
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
ATM Q13315 1/20 0.31
HMOX1 P09601 1/20 0.31
GNRHR P30968 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
SCHEMBL2856300 0.93 TDO2 (0.37) JAK2CA1CA2HMOX1
SCHEMBL2867747 0.84 JAK2 (0.46) JAK2CA1CA2
SCHEMBL2865418 0.83 SRC (0.39) PDK1PDK2PDK3PDK4
SCHEMBL3502735 0.79 JAK2 (0.54) JAK2
SCHEMBL2858032 0.73 JAK2 (0.44) JAK2CA1CA2
SCHEMBL3499488 0.72 JAK2 (0.53) JAK2
SCHEMBL13249147 0.69 ATM (0.35) PDK1PDK2PDK3PDK4ATM
SCHEMBL2868860 0.67 ACSS2 (0.41)
SCHEMBL2859344 0.64 MAPT (0.43)
SCHEMBL3500139 0.62 JAK2 (0.50) 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