SCHEMBL1075465

SCHEMBL1075465

c1cc2cc(c1)OCCc1cc(cc(-c3ccc(N4CCNCC4)nc3)c1)Nc1nccc(n1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.45
TYK2 P29597 12/20 0.45
JAK1 P23458 9/20 0.45
JAK3 P52333 8/20 0.45
ALK Q9UM73 4/20 0.45
FLT3 P36888 11/20 0.41
CCNA2 P20248 9/20 0.39
CDK2 P24941 9/20 0.39
CCNA1 P78396 9/20 0.39
BMPR2 Q13873 1/20 0.39
ROCK2 O75116 1/20 0.38
CCNK O75909 1/20 0.38
STK10 O94804 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
RET P07949 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1074237 0.86 JAK2 (0.58) JAK2TYK2JAK1JAK3ALK
Trifluoroacetic Acid SCHEMBL4360464 0.80 JAK2 (0.51) JAK2TYK2JAK1JAK3ALK
SCHEMBL1073858 0.79 JAK2 (0.57) JAK2TYK2JAK1JAK3ALK
SCHEMBL1074333 0.76 JAK2 (0.57) JAK2TYK2JAK1JAK3ALK
SCHEMBL4354829 0.75 JAK2 (0.54) JAK2TYK2JAK1JAK3ALK
SCHEMBL1075636 0.75 JAK2 (0.52) JAK2TYK2JAK1JAK3ALK
SCHEMBL1075459 0.75 JAK2 (0.52) JAK2TYK2JAK1JAK3ALK
SCHEMBL13633073 0.75 JAK2 (0.44) JAK2TYK2JAK1JAK3ALK
Trifluoroacetic Acid SCHEMBL1074371 0.74 JAK2 (0.51) JAK2TYK2JAK1JAK3ALK
SCHEMBL13623168 0.72 JAK2 (0.48) JAK2TYK2JAK1JAK3ALK

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-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed