SCHEMBL4983707

SCHEMBL4983707

Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)cc(N3CCNCC3)n2)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.73
JAK2 O60674 15/20 0.73
NTRK1 P04629 3/20 0.54
CDK2 P24941 3/20 0.54
AURKB Q96GD4 3/20 0.54
MUSK O15146 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
FLT3 P36888 1/20 0.54
PTK2B Q14289 1/20 0.54
STAT5B P51692 1/20 0.53
KCNH2 Q12809 2/20 0.53
AURKA O14965 1/20 0.52

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
SCHEMBL4979068 0.91 JAK3 (0.73) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL4980719 0.90 JAK3 (0.74) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL4983713 0.89 JAK3 (0.74) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL4983768 0.81 JAK3 (0.68) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL4987053 0.79 JAK3 (1.00) JAK3JAK2NTRK1AURKBRET
SCHEMBL13943149 0.78 JAK3 (0.74) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL4982233 0.76 JAK3 (1.00) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL13942367 0.75 JAK3 (0.59) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL4982949 0.75 JAK3 (1.00) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL14041435 0.75 JAK2 (1.00) JAK3JAK2NTRK1CDK2AURKB

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