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SCHEMBL7184296

SCHEMBL7184296

CC(C)n1cc(-c2ccc(Oc3ccc(CO)c(C(F)(F)F)c3)cc2)c2c(N)ncnc21.CC(O)c1ccc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)c2ccccc12.COc1cc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)ccc1CO

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 14/20 0.60
▸ KDR P35968 13/20 0.60
▸ LCK P06239 12/20 0.52
▸ SRC P12931 4/20 0.52
▸ EGFR P00533 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ ABL1 P00519 2/20 0.39
▸ ABL2 P42684 2/20 0.39
▸ RIPK1 Q13546 1/20 0.38

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
SCHEMBL2074902 0.85 TEK (0.71) TEKKDRLCKSRCEGFR
SCHEMBL2075915 0.85 KDR (0.70) TEKKDRLCKSRCEGFR
SCHEMBL2075821 0.84 TEK (0.75) TEKKDRLCKSRCEGFR
SCHEMBL2072752 0.82 TEK (0.64) TEKKDRLCKSRCPIK3CD
SCHEMBL2074411 0.79 TEK (0.78) TEKKDRLCKSRCEGFR
SCHEMBL2073097 0.78 TEK (0.62) TEKKDRLCKSRCPIK3CD
SCHEMBL2073703 0.78 KDR (0.65) TEKKDRLCKSRCEGFR
SCHEMBL2072170 0.77 TEK (1.00) TEKKDRLCKSRCEGFR
SCHEMBL2075180 0.77 KDR (0.73) TEKKDRLCKSRCEGFR
SCHEMBL2071958 0.77 TEK (0.61) TEKKDRLCKSRCEGFR

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