SCHEMBL3672820

SCHEMBL3672820

CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cc(F)ccn3)s2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.60
JAK3 P52333 2/20 0.44
KCNH2 Q12809 1/20 0.43
PARP14 Q460N5 1/20 0.36
MEN1 O00255 1/20 0.36
IKBKB O14920 1/20 0.36
EIF2AK2 P19525 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3674505 0.86 JAK2 (0.45) JAK2JAK3KCNH2PARP14
SCHEMBL3669494 0.85 JAK2 (0.60) JAK2JAK3KCNH2MEN1IKBKB
SCHEMBL3674059 0.84 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL3676396 0.84 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL3678337 0.82 JAK2 (0.64) JAK2JAK3KCNH2
SCHEMBL3669087 0.82 JAK2 (0.42) JAK2JAK3KCNH2
SCHEMBL3510916 0.82 JAK2 (0.63) JAK2JAK3KCNH2MEN1IKBKB
SCHEMBL3670599 0.81 JAK2 (0.46) JAK2JAK3KCNH2PARP14
SCHEMBL3670685 0.81 JAK2 (0.46) JAK2JAK3KCNH2
SCHEMBL3668776 0.81 JAK2 (0.42) JAK2JAK3KCNH2

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