SCHEMBL4010893

SCHEMBL4010893

COc1cc(Nc2cc(Cl)nc(Cl)n2)n[nH]1.COc1cc(Nc2cc(Cl)nc(OC(C)c3ccc(F)cn3)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.44
JAK3 P52333 11/20 0.41
NTRK1 P04629 6/20 0.39
AURKA O14965 3/20 0.38
IGF1R P08069 2/20 0.38
GRK4 P32298 1/20 0.38
GRK5 P34947 1/20 0.38
GRK6 P43250 1/20 0.38
GRK1 Q15835 1/20 0.38
GRK7 Q8WTQ7 1/20 0.38
CDK2 P24941 2/20 0.37
LCK P06239 2/20 0.37
RET P07949 2/20 0.37
FLT3 P36888 2/20 0.37
MUSK O15146 1/20 0.37
FGFR3 P22607 1/20 0.37
CCNE1 P24864 1/20 0.37
PTK2B Q14289 1/20 0.37
AURKB Q96GD4 1/20 0.37
NTRK3 Q16288 2/20 0.36

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
SCHEMBL4005488 0.96 JAK2 (0.47) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4007794 0.87 JAK2 (0.45) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL3950465 0.80 NTRK1 (0.53) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4007185 0.79 JAK2 (0.54) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4007177 0.79 JAK2 (0.54) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL219259 0.77 PAK4 (0.38) JAK2JAK3AURKAIGF1RLCK
SCHEMBL3034183 0.72 NTRK1 (0.71) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4007014 0.71 IGF1R (0.38) JAK2JAK3AURKAIGF1RLCK
SCHEMBL4007169 0.71 JAK2 (0.77) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4007173 0.71 JAK2 (0.77) JAK2JAK3NTRK1AURKAIGF1R

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-2009007753-A2 4- (3-AMINOPYRAZOLE) -PYRIMIDINE DERIVATIVEE AND THEIR USE AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-01-15 WO disclosed