SCHEMBL4979167

SCHEMBL4979167

COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CC(OC)C2)c1F)c1ncc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.63
JAK3 P52333 15/20 0.63
PLK4 O00444 4/20 0.37
PAK4 O96013 2/20 0.37
NTRK1 P04629 2/20 0.35

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
SCHEMBL4983520 0.93 JAK3 (0.63) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4983862 0.88 JAK3 (0.79) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4983535 0.86 JAK2 (0.61) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4978667 0.86 JAK3 (0.62) JAK2JAK3PLK4PAK4
SCHEMBL4980576 0.83 JAK2 (0.77) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4980582 0.83 JAK2 (0.77) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4981367 0.83 JAK2 (0.57) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4985706 0.82 JAK2 (0.58) JAK2JAK3PAK4
SCHEMBL13942355 0.81 JAK3 (0.50) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4976879 0.78 JAK3 (0.57) JAK2JAK3PLK4PAK4NTRK1

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