SCHEMBL22845272

SCHEMBL22845272

NCCOCCOCCOCCN1CCN([C@H]2CC[C@@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 11/20 0.79
LCK P06239 9/20 0.73
SRC P12931 9/20 0.73
TEK Q02763 8/20 0.73
FLT3 P36888 5/20 0.73
BTK Q06187 4/20 0.73
KDR P35968 4/20 0.73
EGFR P00533 2/20 0.73
FYN P06241 2/20 0.73
LYN P07948 2/20 0.73
CSK P41240 2/20 0.73
PRKD3 O94806 2/20 0.73
PRKCD Q05655 2/20 0.73
PLK4 O00444 1/20 0.73
DCLK1 O15075 1/20 0.73
PDPK1 O15530 1/20 0.73
MAP4K4 O95819 1/20 0.73
PAK4 O96013 1/20 0.73
CHEK2 O96017 1/20 0.73
ABL1 P00519 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
SCHEMBL22835093 1.00 HCK (0.79) HCKLCKSRCTEKFLT3
SCHEMBL29574064 1.00 HCK (0.79) HCKLCKSRCTEKFLT3
SCHEMBL22845273 1.00 HCK (0.79) HCKLCKSRCTEKFLT3
SCHEMBL22835091 1.00 HCK (0.79) HCKLCKSRCTEKFLT3
SCHEMBL22845539 1.00 HCK (0.79) HCKLCKSRCTEKFLT3
SCHEMBL22845563 0.99 HCK (0.80) HCKLCKSRCTEKFLT3
SCHEMBL22845296 0.99 HCK (0.80) HCKLCKSRCTEKFLT3
SCHEMBL6461457 0.90 HCK (0.83) HCKLCKSRCTEKFLT3
SCHEMBL6461460 0.90 HCK (0.83) HCKLCKSRCTEKFLT3
SCHEMBL6468049 0.90 HCK (0.83) HCKLCKSRCTEKFLT3

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-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed