SCHEMBL7147807

SCHEMBL7147807

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)c(F)cc1NC(=O)OC(C)(C)C.COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)c(F)cc1N.Nc1ncnc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.50
SRC P12931 15/20 0.50
TEK Q02763 13/20 0.50
KDR P35968 3/20 0.50
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50
ABL1 P00519 3/20 0.47
FYN P06241 2/20 0.47
PTK6 Q13882 2/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.43

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
SCHEMBL7048602 0.98 SRC (0.52) LCKSRCTEKKDRLIMK1
SCHEMBL6430412 0.91 SRC (0.58) LCKSRCTEKKDRLIMK1
SCHEMBL6430413 0.91 SRC (0.58) LCKSRCTEKKDRLIMK1
SCHEMBL7048601 0.89 LCK (0.52) LCKSRCTEKKDRLIMK1
SCHEMBL5813018 0.82 LCK (0.64) LCKSRCTEKKDRLIMK1
SCHEMBL4825869 0.82 SRC (0.57) LCKSRCTEKKDRLIMK1
SCHEMBL4825878 0.82 SRC (0.57) LCKSRCTEKKDRLIMK1
SCHEMBL6434974 0.79 SRC (0.76) LCKSRCTEKKDRLIMK1
SCHEMBL4854954 0.79 SRC (0.76) LCKSRCTEKKDRLIMK1
SCHEMBL4854947 0.79 SRC (0.76) 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