SCHEMBL20006829

SCHEMBL20006829

CN[S+]([O-])c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.73
IGF1R P08069 3/20 0.73
EGFR P00533 2/20 0.73
CDC7 O00311 1/20 0.73
PLK4 O00444 1/20 0.73
CHEK1 O14757 1/20 0.73
AURKA O14965 1/20 0.73
DCLK1 O15075 1/20 0.73
PDPK1 O15530 1/20 0.73
DAPK3 O43293 1/20 0.73
JAK2 O60674 1/20 0.73
ROCK2 O75116 1/20 0.73
PRKD3 O94806 1/20 0.73
MAP4K4 O95819 1/20 0.73
PAK4 O96013 1/20 0.73
CHEK2 O96017 1/20 0.73
ERBB2 P04626 1/20 0.73
NTRK1 P04629 1/20 0.73
PRKCG P05129 1/20 0.73
LCK P06239 1/20 0.73

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
SCHEMBL20007143 0.85 ALK (0.75) ALKIGF1REGFRCDC7PLK4
SCHEMBL20006830 0.84 ALK (1.00) ALKIGF1REGFRCDC7PLK4
SCHEMBL16769548 0.81 ALK (1.00) ALKEGFR
SCHEMBL12729209 0.74 ALK (0.79) ALKIGF1REGFRCDC7PLK4
SCHEMBL4095269 0.73 ALK (0.81) ALKIGF1REGFRCDC7PLK4
SCHEMBL4096523 0.73 ALK (0.80) ALKIGF1REGFRCDC7PLK4
SCHEMBL380944 0.72 ULK1 (0.88) ALKIGF1REGFRCDC7PLK4
SCHEMBL30682433 0.72 ALK (0.84) ALKIGF1RINSRMAPK3
SCHEMBL16769540 0.72 ALK (1.00) ALK
SCHEMBL16769541 0.72 ALK (0.82) ALK

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
WO-2018058098-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE YALE UNIVERSITY (US) 2018-03-29 WO disclosed