SCHEMBL29847682

SCHEMBL29847682

c1cc(OCCN2CCOCC2)cc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.53
▸ JUN P05412 5/20 0.53
▸ MAPK8 P45983 5/20 0.53
▸ FGFR2 P21802 1/20 0.51
▸ JAK2 O60674 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ TTK P33981 1/20 0.49
▸ PRKCQ Q04759 2/20 0.48
▸ PTK2 Q05397 2/20 0.46
▸ SRC P12931 2/20 0.46
▸ EGFR P00533 2/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ SYK P43405 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
SCHEMBL16513536 1.00 MAPK10 (0.53) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL16515021 0.94 MAPK10 (0.57) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL16515229 0.94 MAPK10 (0.48) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL29847665 0.92 MAPK10 (0.55) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL16514540 0.92 MAPK10 (0.55) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL29848176 0.92 PRKCQ (0.46) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL16515150 0.92 PRKCQ (0.46) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL16822930 0.89 JUN (0.46) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL29847814 0.89 MYLK4 (0.46) MAPK10JUNMAPK8JAK2TTK
SCHEMBL16822855 0.89 MYLK4 (0.46) MAPK10JUNMAPK8JAK2TTK

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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