SCHEMBL588809

SCHEMBL588809

CC(C)Oc1cc(Nc2nc(N)ncc2C(C)c2ccc(F)cn2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.44
JAK3 P52333 10/20 0.44
NTRK1 P04629 8/20 0.41
CDK2 P24941 3/20 0.41
FLT3 P36888 3/20 0.41
LCK P06239 2/20 0.41
RET P07949 2/20 0.41
MUSK O15146 1/20 0.41
FGFR3 P22607 1/20 0.41
CCNE1 P24864 1/20 0.41
PTK2B Q14289 1/20 0.41
AURKA O14965 4/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
AURKB Q96GD4 2/20 0.41
IGF1R P08069 2/20 0.41
FGFR1 P11362 2/20 0.41
PTK2 Q05397 2/20 0.41
BTK Q06187 2/20 0.41
ALK Q9UM73 2/20 0.41

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
SCHEMBL588501 1.00 JAK2 (0.44) JAK2JAK3NTRK1CDK2FLT3
Phosphoric Acid SCHEMBL589436 0.95 JAK2 (0.41) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL589869 0.91 JAK2 (0.45) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL220471 0.87 JAK2 (0.43) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL217588 0.87 JAK2 (0.43) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL588800 0.87 JAK2 (0.43) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL588436 0.86 JAK2 (0.59) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL590651 0.84 JAK2 (0.37) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3668049 0.82 JAK2 (0.40) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3769207 0.81 JAK2 (0.39) JAK2JAK3NTRK1CDK2FLT3

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
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US claimed