SCHEMBL29847665

SCHEMBL29847665

c1cc(-c2ccc(OCCN3CCOCC3)cc2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.55
▸ JUN P05412 5/20 0.55
▸ MAPK8 P45983 5/20 0.55
▸ JAK2 O60674 2/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ FGFR2 P21802 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ TTK P33981 1/20 0.49
▸ EGFR P00533 4/20 0.48
▸ CDK1 P06493 4/20 0.47
▸ KDR P35968 1/20 0.47
▸ CDK4 P11802 3/20 0.46
▸ CCNB1 P14635 3/20 0.46
▸ CCND1 P24385 3/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ MYLK4 Q86YV6 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44

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
SCHEMBL16514540 1.00 MAPK10 (0.55) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16513615 0.94 MAPK10 (0.59) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16513536 0.92 MAPK10 (0.53) MAPK10JUNMAPK8JAK2PTK2
SCHEMBL29847682 0.92 MAPK10 (0.53) MAPK10JUNMAPK8JAK2PTK2
SCHEMBL29847900 0.91 MAPK10 (0.47) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16514604 0.91 MAPK10 (0.47) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL29847548 0.91 JUN (0.48) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16515243 0.91 JUN (0.48) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16514508 0.88 JUN (0.48) MAPK10JUNMAPK8JAK2FGFR2
SCHEMBL29848065 0.88 JUN (0.48) MAPK10JUNMAPK8JAK2FGFR2

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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