SCHEMBL3672308

SCHEMBL3672308

CCC(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(C(N)=O)N4CCOCC4)n3)s2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.51
KCNH2 Q12809 3/20 0.51
JAK3 P52333 3/20 0.46
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3511734 0.87 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3676380 0.84 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3510895 0.82 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3508010 0.81 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL13117146 0.81 JAK2 (0.57) JAK2KCNH2JAK3KDM4EMEN1
SCHEMBL3512042 0.80 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3512385 0.79 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3509666 0.79 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3510585 0.79 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3672850 0.76 JAK2 (0.46) 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