SCHEMBL6886517

SCHEMBL6886517

CC(C)n1cc(-c2ccc(Oc3cc(CCC(F)(F)F)ccc3CO)cc2)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 14/20 0.68
▸ KDR P35968 13/20 0.68
▸ LCK P06239 11/20 0.57
▸ SRC P12931 3/20 0.56
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ RIPK1 Q13546 1/20 0.45
▸ EGFR P00533 3/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ ABL2 P42684 2/20 0.44
▸ FLT3 P36888 1/20 0.42

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
SCHEMBL6886516 0.85 TEK (0.70) TEKKDRLCKSRCPIK3CD
SCHEMBL2074411 0.84 TEK (0.78) TEKKDRLCKSRCPIK3CD
SCHEMBL2073373 0.84 KDR (0.76) TEKKDRLCKSRCPIK3CD
SCHEMBL2074902 0.82 TEK (0.71) TEKKDRLCKSRCPIK3CD
SCHEMBL2072170 0.81 TEK (1.00) TEKKDRLCKSRCPIK3CD
SCHEMBL2075180 0.81 KDR (0.73) TEKKDRLCKSRCPIK3CD
SCHEMBL2075821 0.81 TEK (0.75) TEKKDRLCKSRCPIK3CD
SCHEMBL2071955 0.80 KDR (1.00) TEKKDRLCKSRCPIK3CD
SCHEMBL2075883 0.78 KDR (0.77) TEKKDRLCKSRCPIK3CD
SCHEMBL2074101 0.77 TEK (0.81) TEKKDRLCKSRCPIK3CD

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
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