SCHEMBL3676738

SCHEMBL3676738

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCC(F)(F)CC4)cn3)s2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.43
▸ KCNH2 Q12809 3/20 0.40
▸ CHEK1 O14757 2/20 0.39
▸ JAK3 P52333 3/20 0.38
▸ AURKA O14965 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ CDK6 Q00534 1/20 0.36
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL3510261 0.88 JAK2 (0.51) JAK2KCNH2CHEK1JAK3AURKA
SCHEMBL3672229 0.84 JAK2 (0.46) JAK2KCNH2CHEK1JAK3
SCHEMBL3668318 0.80 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3512574 0.80 JAK2 (0.53) JAK2KCNH2CHEK1JAK3CDK4
SCHEMBL13117225 0.80 JAK2 (0.47) JAK2KCNH2CHEK1JAK3AURKA
SCHEMBL1579825 0.79 JAK2 (0.47) JAK2KCNH2CHEK1JAK3
SCHEMBL3672482 0.79 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3673354 0.78 JAK2 (0.39) JAK2KCNH2JAK3
SCHEMBL3670403 0.78 JAK2 (0.53) JAK2KCNH2CHEK1JAK3GRM2
SCHEMBL3508268 0.78 JAK2 (0.57) JAK2KCNH2CHEK1JAK3AURKA

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-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
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
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