SCHEMBL4978150

SCHEMBL4978150

COCC(c1ccc(F)cn1)c1c(N)nc(Nc2cc(C)[nH]n2)nc1N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.63
JAK2 O60674 15/20 0.63
NTRK1 P04629 2/20 0.47
PLK4 O00444 1/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL4980758 0.82 JAK2 (0.80) JAK3JAK2NTRK1
SCHEMBL13942386 0.80 JAK3 (0.60) JAK3JAK2NTRK1
SCHEMBL4022668 0.79 JAK3 (0.60) JAK3JAK2NTRK1
SCHEMBL4022675 0.79 JAK3 (0.60) JAK3JAK2NTRK1
SCHEMBL4985697 0.77 JAK2 (1.00) JAK3JAK2NTRK1
SCHEMBL4985342 0.77 JAK2 (1.00) JAK3JAK2NTRK1
SCHEMBL589401 0.76 JAK3 (0.62) JAK3JAK2NTRK1
SCHEMBL4982949 0.76 JAK3 (1.00) JAK3JAK2NTRK1AURKB
SCHEMBL4978412 0.75 JAK3 (1.00) JAK3JAK2NTRK1AURKB
SCHEMBL4021826 0.73 JAK2 (0.73) JAK3JAK2NTRK1

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