SCHEMBL4983535

SCHEMBL4983535

COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCC(C#N)CC2)c1F)c1ncc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.61
JAK3 P52333 15/20 0.61
PLK4 O00444 3/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 2/20 0.34
MUSK O15146 1/20 0.34
LCK P06239 1/20 0.34
RET P07949 1/20 0.34
FGFR3 P22607 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
PTK2B Q14289 1/20 0.34

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
SCHEMBL4981367 0.96 JAK2 (0.57) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4983520 0.91 JAK3 (0.63) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4983862 0.88 JAK3 (0.79) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4979167 0.86 JAK2 (0.63) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4978667 0.86 JAK3 (0.62) JAK2JAK3PLK4PAK4RET
SCHEMBL4982454 0.82 JAK2 (0.75) JAK2JAK3NTRK1CDK2
SCHEMBL4978435 0.82 JAK2 (0.75) JAK2JAK3NTRK1CDK2
SCHEMBL4985706 0.82 JAK2 (0.58) JAK2JAK3PAK4
SCHEMBL4971410 0.82 JAK2 (0.36) JAK2JAK3
SCHEMBL3946105 0.81 JAK3 (0.46) 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