SCHEMBL14670342

SCHEMBL14670342

CCOC(=O)CNCc1cccc(Nc2scc(-c3c(F)cc(C(C)(C)O)cc3F)c2C(N)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.51
KCNH2 Q12809 3/20 0.51
JAK3 P52333 2/20 0.51
KDM4E B2RXH2 1/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
DHODH Q02127 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL3511370 0.85 JAK2 (0.69) JAK2KCNH2JAK3
SCHEMBL14670303 0.75 JAK2 (0.42) JAK2KCNH2JAK3
SCHEMBL13270107 0.74 JAK2 (0.71) JAK2KCNH2JAK3
SCHEMBL3512306 0.73 JAK2 (0.69) JAK2KCNH2JAK3
SCHEMBL3509018 0.71 JAK2 (0.67) JAK2KCNH2JAK3
SCHEMBL13269885 0.71 JAK2 (0.75) JAK2KCNH2JAK3
SCHEMBL13270115 0.69 JAK2 (0.78) JAK2KCNH2JAK3
SCHEMBL3508288 0.69 JAK2 (0.63) JAK2KCNH2JAK3
SCHEMBL3510108 0.68 JAK2 (0.73) JAK2KCNH2JAK3
SCHEMBL3510153 0.68 JAK2 (0.75) 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
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed