SCHEMBL3427015

SCHEMBL3427015

Nc1nn2cccnc2c1-c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.56
JAK3 P52333 20/20 0.56
FLT3 P36888 1/20 0.48

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
SCHEMBL13768361 0.81 JAK2 (0.65) JAK2JAK3
SCHEMBL12596475 0.78 JAK2 (0.66) JAK2JAK3FLT3
SCHEMBL21208764 0.78 JAK2 (0.62) JAK2JAK3
SCHEMBL13841846 0.76 KDR (0.47) JAK2JAK3
SCHEMBL12595855 0.75 JAK2 (0.80) JAK2JAK3FLT3
SCHEMBL12596465 0.75 JAK2 (0.62) JAK2JAK3FLT3
SCHEMBL8836423 0.75 PTGS2 (0.59) JAK2JAK3FLT3
SCHEMBL1762246 0.74 JAK2 (0.61) JAK2JAK3FLT3
SCHEMBL16404558 0.74 JAK2 (0.61) JAK2JAK3FLT3
SCHEMBL1762118 0.74 JAK2 (0.51) JAK2JAK3

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-2252618-A1 PYRAZOLO [1,5-a] PYRIMIDINES USEFUL AS JAK2 INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-11-24 EP disclosed
WO-2009085913-A1 PYRAZOLO [1,5-a] PYRIMIDINES USEFUL AS JAK2 INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-09 WO disclosed