SCHEMBL7048205

SCHEMBL7048205

CN1CCN([C@H]2CCC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1.Nc1ncnc2c1c(-c1ccc(C(O)c3ccccc3)cc1)cn2C1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.73
TEK Q02763 11/20 0.73
SRC P12931 10/20 0.73
HCK P08631 9/20 0.73
KDR P35968 8/20 0.73
FLT3 P36888 5/20 0.73
EGFR P00533 3/20 0.73
FYN P06241 2/20 0.73
LYN P07948 2/20 0.73
CSK P41240 2/20 0.73
BTK Q06187 2/20 0.73
PRKD3 O94806 2/20 0.73
PRKCD Q05655 2/20 0.73
ABL1 P00519 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

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
SCHEMBL7048201 1.00 LCK (0.73) LCKTEKSRCHCKKDR
SCHEMBL6459113 0.92 LCK (0.83) LCKTEKSRCHCKKDR
SCHEMBL6459108 0.92 LCK (0.83) LCKTEKSRCHCKKDR
SCHEMBL6459235 0.92 LCK (0.83) LCKTEKSRCHCKKDR
SCHEMBL6459123 0.92 LCK (0.83) LCKTEKSRCHCKKDR
SCHEMBL6459227 0.92 LCK (0.83) LCKTEKSRCHCKKDR
Hydrochloric Acid SCHEMBL7850338 0.91 LCK (0.82) LCKTEKSRCHCKKDR
Hydrochloric Acid SCHEMBL6466978 0.91 LCK (0.82) LCKTEKSRCHCKKDR
Hydrochloric Acid SCHEMBL6465246 0.91 LCK (0.82) LCKTEKSRCHCKKDR
Hydrochloric Acid SCHEMBL6466982 0.91 LCK (0.82) LCKTEKSRCHCKKDR

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-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed