SCHEMBL29847787

SCHEMBL29847787

c1cc(-c2ccc(OCCN3CCOCC3)cn2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 5/20 0.51
▸ MAPK8 P45983 5/20 0.51
▸ MAPK10 P53779 5/20 0.51
▸ EGFR P00533 3/20 0.48
▸ SRC P12931 1/20 0.47
▸ TTK P33981 1/20 0.47
▸ CDK4 P11802 4/20 0.47
▸ CCND1 P24385 4/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ CCNB1 P14635 3/20 0.47
▸ CCNE1 P24864 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ AXL P30530 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ STAT6 P42226 2/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ FGFR4 P22455 1/20 0.45

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
SCHEMBL16823256 1.00 JUN (0.51) JUNMAPK8MAPK10EGFRSRC
SCHEMBL29847548 0.94 JUN (0.48) JUNMAPK8MAPK10EGFRSRC
SCHEMBL16515243 0.94 JUN (0.48) JUNMAPK8MAPK10EGFRSRC
SCHEMBL16514802 0.94 JUN (0.47) JUNMAPK8MAPK10EGFRSRC
SCHEMBL16822934 0.91 BACE1 (0.46) JUNMAPK8MAPK10EGFRSRC
SCHEMBL29847463 0.91 BACE1 (0.46) JUNMAPK8MAPK10EGFRSRC
SCHEMBL16513615 0.90 MAPK10 (0.59) JUNMAPK8MAPK10EGFRSRC
SCHEMBL16823029 0.89 JUN (0.49) JUNMAPK8MAPK10EGFRSRC
SCHEMBL16823164 0.89 MAPK10 (0.49) JUNMAPK8MAPK10EGFRTTK
SCHEMBL16513888 0.87 BACE1 (0.48) EGFRSRCCDK1AXLBACE1

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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