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SCHEMBL6885333

SCHEMBL6885333

CC(C)n1cc(-c2ccc(Oc3cccc(N(C)C)c3C#N)cc2)c2c(N)ncnc21.COc1ccc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)c(C#N)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.68
▸ TEK Q02763 12/20 0.68
▸ LCK P06239 9/20 0.56
▸ SRC P12931 3/20 0.53
▸ EGFR P00533 4/20 0.43
▸ ABL1 P00519 3/20 0.43
▸ ABL2 P42684 3/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ BTK Q06187 1/20 0.40
▸ RET P07949 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
SCHEMBL2072171 0.92 KDR (0.71) KDRTEKLCKSRCPIK3CD
SCHEMBL2074580 0.89 KDR (0.78) KDRTEKLCKSRCEGFR
SCHEMBL6878489 0.83 KDR (0.72) KDRTEKLCKSRCEGFR
SCHEMBL2071944 0.82 KDR (0.80) KDRTEKLCKSRCEGFR
SCHEMBL2075340 0.82 KDR (0.77) KDRTEKLCKSRCPIK3CD
SCHEMBL2075529 0.81 KDR (1.00) KDRTEKLCKSRCEGFR
SCHEMBL2074245 0.81 KDR (0.78) KDRTEKLCKSRCEGFR
SCHEMBL2075847 0.81 KDR (0.75) KDRTEKLCKSRCPIK3CD
SCHEMBL2073479 0.81 KDR (0.62) KDRTEKLCKSRCEGFR
SCHEMBL2074981 0.80 KDR (0.62) KDRTEKLCKSRCPIK3CD

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