SCHEMBL19633778

SCHEMBL19633778

COc1cc(COc2ccc3c(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccnc3c2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAK O14976 19/20 0.69
RIPK2 O43353 11/20 0.65
COQ8A Q8NI60 11/20 0.65
NLK Q9UBE8 11/20 0.65
EPHB6 O15197 3/20 0.60
ABL1 P00519 3/20 0.60
LCK P06239 2/20 0.60
EPHA1 P21709 2/20 0.60
EPHA8 P29322 2/20 0.60
TXK P42681 1/20 0.60
ACVR1 Q04771 2/20 0.54
BMPR1B O00238 1/20 0.54
EGFR P00533 1/20 0.54
SRC P12931 1/20 0.54
MAP2K5 Q13163 1/20 0.54
STK16 O75716 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL19633751 0.92 GAK (0.66) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633713 0.84 GAK (0.49) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633780 0.82 GAK (0.71) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633629 0.80 GSK3A (0.61) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633698 0.77 TUBB1 (0.57) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633777 0.77 GAK (0.57) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633690 0.76 GAK (0.47) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633749 0.75 TUBB1 (0.54) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633779 0.75 TUBB1 (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL19633699 0.73 GAK (0.57) GAKRIPK2COQ8ANLKEGFR

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-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed