SCHEMBL3670149

SCHEMBL3670149

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(COCC(=O)N4CCC(O)C4)n3)s2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.53
KCNH2 Q12809 5/20 0.53
JAK3 P52333 3/20 0.53
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL3511575 0.88 JAK2 (0.70) JAK2KCNH2JAK3
SCHEMBL3668340 0.86 JAK2 (0.45) JAK2KCNH2JAK3
SCHEMBL3673325 0.84 JAK2 (0.44) JAK2KCNH2JAK3
SCHEMBL3669156 0.83 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3675141 0.82 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3673945 0.81 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3666365 0.81 JAK2 (0.79) JAK2KCNH2JAK3
SCHEMBL3669045 0.81 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3671490 0.81 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3672231 0.80 JAK2 (0.55) 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