SCHEMBL14011024

SCHEMBL14011024

Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1C(=N)OC(=N)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.55
KCNH2 Q12809 3/20 0.55
JAK3 P52333 3/20 0.55

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
SCHEMBL3510419 0.83 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3507352 0.82 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL13465206 0.81 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3668114 0.81 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3513865 0.80 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL13269978 0.79 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3511398 0.79 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3509526 0.79 JAK2 (0.63) JAK2KCNH2JAK3
SCHEMBL3512332 0.79 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3508225 0.79 JAK2 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed