SCHEMBL4985706

SCHEMBL4985706

COCC(Oc1nc(Cl)nc(N2CCC(C)(O)CC2)c1F)c1ncc(F)cc1F.COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCC(C)(O)CC2)c1F)c1ncc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.58
JAK3 P52333 15/20 0.58
PAK4 O96013 1/20 0.34
AURKA O14965 3/20 0.33
AURKB Q96GD4 3/20 0.33

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
SCHEMBL4978667 0.96 JAK3 (0.62) JAK2JAK3PAK4
SCHEMBL4981367 0.87 JAK2 (0.57) JAK2JAK3PAK4
SCHEMBL4983862 0.85 JAK3 (0.79) JAK2JAK3PAK4AURKAAURKB
SCHEMBL4974375 0.84 JAK2 (0.36) JAK2JAK3
SCHEMBL4983520 0.84 JAK3 (0.63) JAK2JAK3PAK4
SCHEMBL4982249 0.83 JAK2 (0.71) JAK2JAK3PAK4AURKAAURKB
SCHEMBL4979167 0.82 JAK2 (0.63) JAK2JAK3PAK4
SCHEMBL4983535 0.82 JAK2 (0.61) JAK2JAK3PAK4
SCHEMBL4982528 0.82 JAK2 (0.61) JAK2JAK3PAK4
SCHEMBL4982538 0.82 JAK2 (0.61) JAK2JAK3PAK4

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