SCHEMBL589514

SCHEMBL589514

Cc1nc(C(C)Nc2ncc(-c3cc(C4CC4)[nH]n3)c(N)n2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.51
JAK2 O60674 2/20 0.44
PAK1 Q13153 5/20 0.42
PAK3 O75914 4/20 0.42
PAK2 Q13177 4/20 0.42
IGF1R P08069 4/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL589564 0.88 NTRK1 (0.63) NTRK1JAK2PAK1PAK3PAK2
SCHEMBL4162039 0.84 NTRK1 (0.62) NTRK1JAK2IGF1RJAK3
SCHEMBL15059617 0.83 PAK1 (0.62) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL15059652 0.83 PAK1 (0.62) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL220866 0.83 JAK2 (0.61) NTRK1JAK2JAK3
SCHEMBL589443 0.82 JAK2 (0.52) NTRK1JAK2PAK1PAK3PAK2
SCHEMBL4144541 0.82 NTRK1 (0.59) NTRK1JAK2IGF1R
SCHEMBL15059009 0.80 PAK1 (0.63) NTRK1JAK2PAK1PAK3PAK2
SCHEMBL15091280 0.79 PAK1 (0.64) NTRK1JAK2PAK1PAK3PAK2
SCHEMBL4070836 0.77 JAK2 (0.40) NTRK1JAK2PAK1PAK3PAK2

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