SCHEMBL589869

SCHEMBL589869

COc1cc(Nc2nc(N)ncc2[C@H](C)c2ccc(F)cn2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.45
JAK3 P52333 11/20 0.45
AURKA O14965 3/20 0.42
GRK6 P43250 3/20 0.42
IGF1R P08069 2/20 0.42
GRK4 P32298 1/20 0.42
GRK5 P34947 1/20 0.42
GRK1 Q15835 1/20 0.42
GRK7 Q8WTQ7 1/20 0.42
NTRK1 P04629 5/20 0.42
CDK2 P24941 3/20 0.42
MUSK O15146 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
FGFR3 P22607 1/20 0.42
CCNE1 P24864 1/20 0.42
FLT3 P36888 1/20 0.42
PTK2B Q14289 1/20 0.42
AURKB Q96GD4 2/20 0.41
STAT5B P51692 1/20 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
SCHEMBL588809 0.91 JAK2 (0.44) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL588501 0.91 JAK2 (0.44) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL588436 0.87 JAK2 (0.59) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL218751 0.87 JAK2 (0.42) JAK2JAK3AURKAGRK6IGF1R
Phosphoric Acid SCHEMBL589436 0.86 JAK2 (0.41) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL4374782 0.81 JAK2 (0.40) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL17800977 0.81 JAK2 (0.40) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL17800982 0.79 AURKA (0.40) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL588800 0.78 JAK2 (0.43) JAK2JAK3AURKAGRK6IGF1R
SCHEMBL220471 0.78 JAK2 (0.43) JAK2JAK3AURKAGRK6NTRK1

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 3 patents. 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
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
WO-2009027736-A2 2,4 DIAMINOPYRIMID'LNES FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS AND CANCER ASTRAZENECA AB (SE) 2009-03-05 WO disclosed