SCHEMBL589443

SCHEMBL589443

CC(Nc1ncc(-c2cc(C3CC3)[nH]n2)c(N)n1)c1ncc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.52
NTRK1 P04629 12/20 0.49
PAK3 O75914 1/20 0.42
PAK1 Q13153 1/20 0.42
PAK2 Q13177 1/20 0.42
IGF1R P08069 4/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
JAK3 P52333 3/20 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
SCHEMBL220866 0.87 JAK2 (0.61) JAK2NTRK1JAK3
SCHEMBL589564 0.85 NTRK1 (0.63) JAK2NTRK1PAK3PAK1PAK2
SCHEMBL4162039 0.85 NTRK1 (0.62) JAK2NTRK1IGF1RJAK3
SCHEMBL15091280 0.83 PAK1 (0.64) JAK2NTRK1PAK3PAK1PAK2
SCHEMBL589514 0.82 NTRK1 (0.51) JAK2NTRK1PAK3PAK1PAK2
SCHEMBL4144541 0.81 NTRK1 (0.59) JAK2NTRK1IGF1R
SCHEMBL4070836 0.78 JAK2 (0.40) JAK2NTRK1PAK3PAK1PAK2
SCHEMBL15058643 0.78 PAK1 (0.47) JAK2NTRK1PAK3PAK1PAK2
SCHEMBL22535639 0.77 JAK2 (0.58) JAK2NTRK1PAK3PAK1PAK2
SCHEMBL14722563 0.77 IGF1R (0.40) IGF1RMKNK1MKNK2

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