SCHEMBL20633950

SCHEMBL20633950

COc1ccc(C[n+]2cccc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.70
KIT P10721 16/20 0.70
ABL2 P42684 13/20 0.70
BCR P11274 7/20 0.70
PDGFRA P16234 2/20 0.70
PLK4 O00444 1/20 0.70
DDX3X O00571 1/20 0.70
GAK O14976 1/20 0.70
SLC22A2 O15244 1/20 0.70
MAPK13 O15264 1/20 0.70
CA12 O43570 1/20 0.70
SLC22A3 O75751 1/20 0.70
ABCB11 O95342 1/20 0.70
EGFR P00533 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
LMNA P02545 1/20 0.70
ALB P02768 1/20 0.70
RAF1 P04049 1/20 0.70
ERBB2 P04626 1/20 0.70

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
SCHEMBL20635552 0.95 ABL1 (0.70) ABL1KITABL2BCRPDGFRA
Iodide SCHEMBL15632996 0.87 ABL1 (0.69) ABL1KITABL2BCRPDGFRA
SCHEMBL18210972 0.87 ABL1 (0.69) ABL1KITABL2BCRPDGFRA
Iodide SCHEMBL15632994 0.87 ABL1 (0.69) ABL1KITABL2BCRPDGFRA
Iodide SCHEMBL15632995 0.87 ABL1 (0.68) ABL1KITABL2BCRPDGFRA
Iodide SCHEMBL15632993 0.87 ABL1 (0.68) ABL1KITABL2BCRPDGFRA
SCHEMBL30752396 0.87 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL18210973 0.87 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL3061037 0.87 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL15636695 0.86 ABL1 (0.66) ABL1KITABL2BCRPDGFRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141459-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
WO-2020141460-A2 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
WO-2019008441-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2019-01-10 WO disclosed