SCHEMBL4979068

SCHEMBL4979068

Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)cc(N3CCN(C)CC3)n2)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.73
JAK2 O60674 10/20 0.73
AURKA O14965 7/20 0.64
AURKB Q96GD4 5/20 0.64
KCNH2 Q12809 1/20 0.64
MUSK O15146 1/20 0.54
NTRK1 P04629 1/20 0.54
LCK P06239 1/20 0.54
RET P07949 1/20 0.54
FGFR3 P22607 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
FLT3 P36888 1/20 0.54
PTK2B Q14289 1/20 0.54

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
SCHEMBL4980719 0.91 JAK3 (0.74) JAK3JAK2AURKAAURKBKCNH2
SCHEMBL4983707 0.91 JAK3 (0.73) JAK3JAK2AURKAAURKBKCNH2
SCHEMBL4983713 0.91 JAK3 (0.74) JAK3JAK2AURKAAURKBKCNH2
SCHEMBL13943149 0.87 JAK3 (0.74) JAK3JAK2AURKAAURKBKCNH2
SCHEMBL4982233 0.84 JAK3 (1.00) JAK3JAK2AURKBMUSKNTRK1
SCHEMBL4983768 0.81 JAK3 (0.68) JAK3JAK2AURKAAURKBMUSK
SCHEMBL4987053 0.79 JAK3 (1.00) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL4978285 0.76 JAK3 (1.00) JAK3JAK2AURKBMUSKNTRK1
SCHEMBL4983441 0.76 JAK3 (1.00) JAK3JAK2AURKBMUSKNTRK1
SCHEMBL13942367 0.75 JAK3 (0.59) JAK3JAK2AURKBMUSKNTRK1

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