SCHEMBL589564

SCHEMBL589564

CC(Nc1ncc(-c2cc(C3CC3)[nH]n2)c(N)n1)c1ccc(F)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.63
JAK2 O60674 4/20 0.51
JAK3 P52333 3/20 0.51
IGF1R P08069 4/20 0.43
AURKA O14965 2/20 0.43
NTRK3 Q16288 2/20 0.43
NTRK2 Q16620 2/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
RET P07949 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CLK2 P49760 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL4162039 0.89 NTRK1 (0.62) NTRK1JAK2JAK3IGF1R
SCHEMBL589514 0.88 NTRK1 (0.51) NTRK1JAK2JAK3IGF1RPAK3
SCHEMBL220866 0.87 JAK2 (0.61) NTRK1JAK2JAK3AURKARET
SCHEMBL589443 0.85 JAK2 (0.52) NTRK1JAK2JAK3IGF1RPAK3
SCHEMBL15059009 0.83 PAK1 (0.63) NTRK1JAK2IGF1RPAK3PAK1
SCHEMBL4144541 0.82 NTRK1 (0.59) NTRK1JAK2IGF1R
SCHEMBL15059617 0.82 PAK1 (0.62) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL15059652 0.82 PAK1 (0.62) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL3667400 0.81 NTRK1 (0.52) NTRK1JAK2JAK3IGF1RAURKA
SCHEMBL3775237 0.81 NTRK1 (0.52) NTRK1JAK2JAK3IGF1RAURKA

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