SCHEMBL29206343

SCHEMBL29206343

COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1OC(N)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 0.72
▸ ABL1 P00519 16/20 0.72
▸ PTK6 Q13882 12/20 0.72
▸ HCK P08631 9/20 0.72
▸ FYN P06241 8/20 0.72
▸ LYN P07948 6/20 0.72
▸ BLK P51451 6/20 0.72
▸ LCK P06239 5/20 0.72
▸ YES1 P07947 5/20 0.72
▸ FGR P09769 5/20 0.72
▸ FRK P42685 6/20 0.68
▸ KIT P10721 1/20 0.68
▸ RET P07949 2/20 0.65
▸ FGFR1 P11362 1/20 0.59
▸ FGFR2 P21802 1/20 0.59
▸ FGFR3 P22607 1/20 0.59
▸ PIK3CD O00329 3/20 0.56
▸ EGFR P00533 3/20 0.56
▸ KDR P35968 3/20 0.56
▸ PIK3CA P42336 3/20 0.56

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
SCHEMBL26134737 0.89 ABL1 (0.61) SRCABL1PTK6HCKFYN
SCHEMBL20132684 0.88 SRC (0.75) SRCABL1PTK6HCKFYN
SCHEMBL26148157 0.84 ABL1 (0.83) SRCABL1PTK6HCKFYN
SCHEMBL20132619 0.84 ABL1 (0.75) SRCABL1PTK6HCKFYN
SCHEMBL18258359 0.84 SRC (1.00) SRCABL1PTK6HCKFYN
SCHEMBL29381545 0.84 ABL1 (1.00) SRCABL1PTK6HCKFYN
SCHEMBL18258375 0.84 ABL1 (1.00) SRCABL1PTK6HCKFYN
SCHEMBL18258357 0.84 SRC (1.00) SRCABL1PTK6HCKFYN
SCHEMBL18258332 0.84 SRC (1.00) SRCABL1PTK6HCKFYN
SCHEMBL18258328 0.83 ABL1 (0.91) SRCABL1PTK6HCKFYN

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
CN-117957229-A Tyrosine kinase inhibitors 爱丁堡大学理事会 2024-04-30 — — CN disclosed
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