SCHEMBL29847548

SCHEMBL29847548

c1cc(-c2ccc(OCCN3CCOCC3)cn2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 5/20 0.48
▸ MAPK8 P45983 5/20 0.48
▸ MAPK10 P53779 5/20 0.48
▸ EGFR P00533 3/20 0.46
▸ CDK4 P11802 5/20 0.46
▸ CDK1 P06493 4/20 0.46
▸ CCNB1 P14635 4/20 0.46
▸ CCND1 P24385 4/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ SRC P12931 1/20 0.45
▸ CDK6 Q00534 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ WEE1 P30291 2/20 0.42

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
SCHEMBL16515243 1.00 JUN (0.48) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL29847787 0.94 JUN (0.51) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL16823256 0.94 JUN (0.51) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL16514723 0.91 WEE1 (0.43) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL29847655 0.91 WEE1 (0.43) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL29847665 0.91 MAPK10 (0.55) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL16514540 0.91 MAPK10 (0.55) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL16822930 0.90 JUN (0.46) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL16514802 0.88 JUN (0.47) JUNMAPK8MAPK10EGFRCDK4
SCHEMBL16513536 0.88 MAPK10 (0.53) JUNMAPK8MAPK10EGFRCDK4

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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