SCHEMBL3669591

SCHEMBL3669591

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CNC(=O)c4ccnc(CO)c4)n3)s2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.48
KCNH2 Q12809 3/20 0.48
JAK3 P52333 3/20 0.48
KDR P35968 1/20 0.34

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
SCHEMBL3512654 0.89 JAK2 (0.48) JAK2KCNH2JAK3KDR
SCHEMBL3512650 0.89 JAK2 (0.48) JAK2KCNH2JAK3KDR
SCHEMBL3512655 0.87 JAK2 (0.64) JAK2KCNH2JAK3KDR
SCHEMBL3673945 0.85 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3672088 0.84 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3672231 0.83 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3669629 0.83 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3676945 0.83 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL1579870 0.82 JAK2 (0.41) JAK2KCNH2JAK3
SCHEMBL3673091 0.82 JAK2 (0.50) JAK2KCNH2JAK3

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-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed