SCHEMBL588436

SCHEMBL588436

Cc1cc(Nc2nc(N)ncc2[C@H](C)c2ccc(F)cn2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.59
JAK3 P52333 16/20 0.59
NTRK1 P04629 4/20 0.55
CDK2 P24941 3/20 0.55
MUSK O15146 1/20 0.55
LCK P06239 1/20 0.55
RET P07949 1/20 0.55
FGFR3 P22607 1/20 0.55
CCNE1 P24864 1/20 0.55
FLT3 P36888 1/20 0.55
PTK2B Q14289 1/20 0.55
AURKB Q96GD4 2/20 0.54
STAT5B P51692 1/20 0.54

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
SCHEMBL589869 0.87 JAK2 (0.45) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL588501 0.86 JAK2 (0.44) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL588809 0.86 JAK2 (0.44) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL217329 0.86 JAK2 (0.56) JAK2JAK3NTRK1CDK2MUSK
Phosphoric Acid SCHEMBL589436 0.81 JAK2 (0.41) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL3774509 0.81 JAK2 (0.52) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL589401 0.77 JAK3 (0.62) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL2337030 0.76 KCNH2 (0.44) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL14041700 0.74 JAK2 (1.00) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL14722864 0.74 NTRK1 (0.40) JAK2JAK3NTRK1CDK2MUSK

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 2 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