SCHEMBL4976879

SCHEMBL4976879

COC[C@@H](Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCOCC2CO[Si](C)(C)C(C)(C)C)c1F)c1ncc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.57
JAK2 O60674 13/20 0.57
PLK4 O00444 5/20 0.33
NTRK1 P04629 4/20 0.33
PAK4 O96013 1/20 0.33
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL4976875 1.00 JAK3 (0.57) JAK3JAK2PLK4NTRK1PAK4
SCHEMBL4988399 0.85 JAK3 (0.68) JAK3JAK2
SCHEMBL4988403 0.85 JAK3 (0.68) JAK3JAK2
SCHEMBL4983862 0.84 JAK3 (0.79) JAK3JAK2PLK4NTRK1PAK4
SCHEMBL4983520 0.79 JAK3 (0.63) JAK3JAK2PLK4NTRK1PAK4
SCHEMBL4979167 0.78 JAK2 (0.63) JAK3JAK2PLK4NTRK1PAK4
SCHEMBL4983535 0.77 JAK2 (0.61) JAK3JAK2PLK4NTRK1PAK4
SCHEMBL4978667 0.77 JAK3 (0.62) JAK3JAK2PLK4PAK4
SCHEMBL13943453 0.76 JAK3 (0.51) JAK3JAK2PLK4NTRK1PAK4
SCHEMBL4981367 0.74 JAK2 (0.57) JAK3JAK2PLK4NTRK1PAK4

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