SCHEMBL7069729

SCHEMBL7069729

COc1cc2c(Nc3ccc(Br)c4c3OCO4)c(C#N)cnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.71
FYN P06241 3/20 0.71
ABL1 P00519 4/20 0.68
BCR P11274 4/20 0.68
WEE2 P0C1S8 2/20 0.68
WEE1 P30291 2/20 0.68
PKMYT1 Q99640 2/20 0.68
MAP2K1 Q02750 2/20 0.68
STK25 O00506 1/20 0.68
CIT O14578 1/20 0.68
RIOK3 O14730 1/20 0.68
MAP2K7 O14733 1/20 0.68
CHEK1 O14757 1/20 0.68
CASK O14936 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
MAP3K13 O43283 1/20 0.68
MAP3K7 O43318 1/20 0.68
RIPK2 O43353 1/20 0.68
NUAK1 O60285 1/20 0.68

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
SCHEMBL4496616 0.94 SRC (0.73) SRCFYNABL1BCRWEE2
SCHEMBL4559873 0.92 SRC (0.70) SRCFYNABL1BCRWEE2
SCHEMBL5459225 0.90 SRC (0.67) SRCFYNABL1BCRWEE2
SCHEMBL4481862 0.89 SRC (0.66) SRCFYNABL1BCRWEE2
SCHEMBL4496877 0.88 SRC (0.61) SRCFYNABL1BCREGFR
SCHEMBL5955610 0.85 SRC (0.67) SRCFYNABL1BCRWEE2
SCHEMBL5473881 0.85 SRC (0.60) SRCFYNABL1BCRWEE2
Hydrochloric Acid SCHEMBL5479170 0.84 SRC (0.59) SRCFYNABL1BCRWEE2
SCHEMBL7070507 0.84 SRC (0.70) SRCFYNABL1BCRMAP2K1
SCHEMBL3678116 0.84 WEE2 (0.69) SRCFYNABL1BCRWEE2

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-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed