SCHEMBL589536

SCHEMBL589536

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(OCC(O)CO)c2Cl)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.62
JAK3 P52333 7/20 0.49
AURKA O14965 6/20 0.49
JAK2 O60674 5/20 0.49
IGF1R P08069 4/20 0.49
NTRK3 Q16288 2/20 0.49
NTRK2 Q16620 2/20 0.49
LCK P06239 2/20 0.49
RET P07949 2/20 0.49
FLT3 P36888 2/20 0.49
FYN P06241 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
LTK P29376 1/20 0.49
KDR P35968 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CLK2 P49760 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49

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
SCHEMBL589535 1.00 NTRK1 (0.62) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL588638 0.93 NTRK1 (0.55) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL589432 0.90 NTRK1 (0.76) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL589431 0.90 NTRK1 (0.76) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL589107 0.89 NTRK1 (0.77) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL589106 0.89 NTRK1 (0.77) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL588554 0.87 NTRK1 (0.60) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL588553 0.87 NTRK1 (0.60) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL589659 0.85 NTRK1 (0.56) NTRK1JAK3AURKAJAK2IGF1R
SCHEMBL589089 0.84 NTRK1 (0.65) NTRK1JAK3AURKAJAK2IGF1R

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 1 patent. 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