SCHEMBL3672088

SCHEMBL3672088

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CNC(=O)c4cnn(C)c4)n3)s2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.48
KCNH2 Q12809 3/20 0.48
JAK3 P52333 2/20 0.48
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 4/20 0.38

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
SCHEMBL3742369 0.89 JAK2 (0.48) JAK2KCNH2JAK3LMNAHPGD
SCHEMBL3512694 0.87 JAK2 (0.64) JAK2KCNH2JAK3LMNAHPGD
SCHEMBL3673091 0.86 JAK2 (0.50) JAK2KCNH2JAK3MAPK1
SCHEMBL3673945 0.85 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3669591 0.84 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3676945 0.84 JAK2 (0.49) JAK2KCNH2JAK3MAPK1
SCHEMBL3669629 0.83 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3673508 0.82 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3672231 0.82 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3670982 0.81 JAK2 (0.51) 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 claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed