SCHEMBL4973170

SCHEMBL4973170

Fc1ccc(CCOc2nc(Cl)nc(N3CCOCC3)c2F)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ELOVL1 Q9BW60 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
MTOR P42345 1/20 0.36
PIK3CA P42336 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL4975393 0.86 JAK2 (0.38) JAK2JAK3KDM4EELOVL1TSHR
SCHEMBL4970852 0.82 JAK2 (0.40) JAK2JAK3KDM4EELOVL1TSHR
SCHEMBL4972215 0.80 JAK2 (0.39) JAK2JAK3KDM4ESTK4STK3
SCHEMBL4972050 0.78 JAK2 (0.46) JAK2JAK3KDM4EABL1MTOR
SCHEMBL4972038 0.77 JAK2 (0.49) JAK2JAK3KDM4EHSD17B10ABL1
SCHEMBL4973163 0.76 JAK2 (0.63) JAK2JAK3KDM4E
SCHEMBL4973061 0.76 JAK2 (0.41) JAK2JAK3KDM4EABL1BCR
SCHEMBL4972541 0.74 JAK2 (0.46) JAK2JAK3KDM4EHSD17B10MTOR
SCHEMBL4972257 0.73 JAK2 (0.59) JAK2JAK3KDM4E
SCHEMBL4975389 0.72 JAK2 (0.61) JAK2JAK3KDM4E

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-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed