SCHEMBL6883643

SCHEMBL6883643

COc1cc(-c2nn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccc(CO)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.79
SRC P12931 16/20 0.79
TEK Q02763 15/20 0.79
KDR P35968 5/20 0.65
LIMK1 P53667 2/20 0.64
LIMK2 P53671 1/20 0.64
FYN P06241 3/20 0.61
BTK Q06187 1/20 0.54
EGFR P00533 3/20 0.54
ERBB2 P04626 3/20 0.54
ERBB4 Q15303 3/20 0.54
IGF1R P08069 2/20 0.54
ERBB3 P21860 2/20 0.54
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
INSR P06213 1/20 0.54

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
SCHEMBL6883639 1.00 LCK (0.79) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL6433384 0.97 LCK (0.74) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL6433394 0.97 LCK (0.74) LCKSRCTEKKDRLIMK1
SCHEMBL6431132 0.93 LCK (0.79) LCKSRCTEKKDRLIMK1
SCHEMBL6431127 0.93 LCK (0.79) LCKSRCTEKKDRLIMK1
SCHEMBL6433392 0.91 LCK (0.74) LCKSRCTEKKDRLIMK1
SCHEMBL6433390 0.91 LCK (0.74) LCKSRCTEKKDRLIMK1
SCHEMBL7702773 0.88 SRC (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL7702761 0.88 SRC (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL6431352 0.87 SRC (1.00) LCKSRCTEKKDRLIMK1

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