SCHEMBL3679978

SCHEMBL3679978

CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(N4CCCC4)n3)s2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.48
KCNH2 Q12809 3/20 0.48
JAK3 P52333 3/20 0.48
TRPV3 Q8NET8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL3670332 0.94 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3669087 0.86 JAK2 (0.42) JAK2KCNH2JAK3
SCHEMBL3678337 0.85 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3509298 0.84 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3674467 0.81 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3670521 0.81 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3675757 0.81 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3672850 0.81 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3675732 0.81 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3676376 0.80 JAK2 (0.53) 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