SCHEMBL4198140

SCHEMBL4198140

CN(C)CCC[As](Cc1ccccn1)c1nc2cc[nH]c(=O)c2c2cc(F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.56
KCNH2 Q12809 1/20 0.41
CHEK1 O14757 2/20 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
SCHEMBL2460282 0.80 JAK2 (0.58) JAK2KCNH2CHEK1
SCHEMBL2458380 0.72 JAK2 (1.00) JAK2KCNH2
SCHEMBL2458860 0.70 JAK2 (0.72) JAK2KCNH2
SCHEMBL2455686 0.69 JAK2 (0.65) JAK2KCNH2
SCHEMBL12333319 0.63 JAK2 (0.62) JAK2KCNH2CHEK1
SCHEMBL12333441 0.63 JAK2 (0.62) JAK2KCNH2CHEK1
SCHEMBL2358966 0.63 JAK2 (0.54) JAK2KCNH2CHEK1
SCHEMBL2458089 0.63 JAK2 (0.68) JAK2KCNH2CHEK1
SCHEMBL2459085 0.62 JAK2 (0.55) JAK2KCNH2CHEK1
SCHEMBL2460612 0.62 JAK2 (0.76) JAK2KCNH2

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-2134346-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck & Co., Inc. (US) 2009-12-23 EP claimed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO claimed