SCHEMBL3669466

SCHEMBL3669466

NC(=O)c1cc(-c2ccc(NC(=O)O)cc2)sc1Nc1cccc(CN2CCOCC2)n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.78
KCNH2 Q12809 2/20 0.78
JAK3 P52333 2/20 0.78
CHEK1 O14757 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LCK P06239 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13116698 0.91 JAK2 (0.74) JAK2KCNH2JAK3CHEK1KDM4E
SCHEMBL3512642 0.89 JAK2 (0.79) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3508970 0.88 JAK2 (0.77) JAK2KCNH2JAK3CHEK1KDM4E
SCHEMBL3511510 0.88 JAK2 (0.77) JAK2KCNH2JAK3CHEK1KDM4E
SCHEMBL3510218 0.87 JAK2 (1.00) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3510515 0.87 JAK2 (0.76) JAK2KCNH2JAK3CHEK1
SCHEMBL3509394 0.86 JAK2 (0.75) JAK2KCNH2JAK3CHEK1KDM4E
SCHEMBL3512449 0.86 JAK2 (0.89) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3509215 0.86 JAK2 (0.75) JAK2KCNH2JAK3CHEK1KDM4E
SCHEMBL3514041 0.86 JAK2 (0.75) JAK2KCNH2JAK3CHEK1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP claimed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed