SCHEMBL3672095

SCHEMBL3672095

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3ccnc(CN4CCOCC4)n3)s2)cn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.56
KCNH2 Q12809 2/20 0.56
JAK3 P52333 2/20 0.56
SYK P43405 1/20 0.41
CHEK1 O14757 2/20 0.39
IKBKE Q14164 4/20 0.38
TBK1 Q9UHD2 4/20 0.38
CHUK O15111 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL3669360 0.89 JAK2 (0.71) JAK2KCNH2JAK3SYKCHEK1
SCHEMBL3511214 0.87 JAK2 (0.59) JAK2KCNH2JAK3CHEK1TBK1
SCHEMBL3512453 0.87 JAK2 (0.59) JAK2KCNH2JAK3CHEK1TBK1
SCHEMBL3510982 0.87 JAK2 (0.59) JAK2KCNH2JAK3CHEK1TBK1
SCHEMBL3508820 0.85 JAK2 (0.56) JAK2KCNH2JAK3SYKCHEK1
SCHEMBL3510517 0.84 JAK2 (0.61) JAK2KCNH2JAK3SYKCHEK1
SCHEMBL3512155 0.84 JAK2 (0.64) JAK2KCNH2JAK3CHEK1IKBKE
SCHEMBL3512406 0.83 JAK2 (0.69) JAK2KCNH2JAK3CHEK1
SCHEMBL3511288 0.83 JAK2 (0.59) JAK2KCNH2JAK3CHEK1TBK1
SCHEMBL13464968 0.82 JAK2 (0.58) JAK2KCNH2JAK3SYKCHEK1

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