SCHEMBL15375411

SCHEMBL15375411

CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(-c5ccco5)cn4n3)s2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.38
KCNH2 Q12809 2/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL1428780 0.86 JAK2 (0.51) JAK2KCNH2JAK3KDM4EALDH1A1
SCHEMBL15375393 0.79 JAK2 (0.38) JAK2KCNH2JAK3
SCHEMBL3678337 0.75 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3672820 0.74 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL15375458 0.74 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL12801179 0.74 JAK2 (0.37) JAK2KCNH2JAK3KDM4EALDH1A1
SCHEMBL3674505 0.73 JAK2 (0.45) JAK2KCNH2JAK3
SCHEMBL1430446 0.73 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3670599 0.72 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3668776 0.72 JAK2 (0.42) 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
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed