SCHEMBL4480787

SCHEMBL4480787

O=C(CC1CNC1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.47
JAK1 P23458 11/20 0.47
JAK3 P52333 11/20 0.47
TYK2 P29597 10/20 0.47
ALK Q9UM73 12/20 0.44
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1076384 0.95 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
SCHEMBL13623234 0.94 JAK2 (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL13623230 0.94 JAK2 (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075074 0.94 JAK2 (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL4363327 0.92 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074027 0.92 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL1073047 0.92 JAK2 (0.45) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL1075303 0.89 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4352924 0.89 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL1075853 0.89 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK

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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed