SCHEMBL29847900

SCHEMBL29847900

c1cc(-c2ccc(OCCN3CCOCC3)cc2)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.47
▸ JUN P05412 4/20 0.47
▸ MAPK8 P45983 4/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ SRC P12931 2/20 0.45
▸ AXL P30530 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ EGFR P00533 4/20 0.43
▸ AIMP2 Q13155 1/20 0.42
▸ WEE1 P30291 1/20 0.42
▸ TTK P33981 2/20 0.42
▸ SYK P43405 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL16514604 1.00 MAPK10 (0.47) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16514195 0.94 MAPK10 (0.50) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL29848176 0.92 PRKCQ (0.46) MAPK10JUNMAPK8JAK2SRC
SCHEMBL16515150 0.92 PRKCQ (0.46) MAPK10JUNMAPK8JAK2SRC
SCHEMBL29847655 0.92 WEE1 (0.43) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16514723 0.92 WEE1 (0.43) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16514540 0.91 MAPK10 (0.55) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL29847665 0.91 MAPK10 (0.55) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL16514888 0.89 SYK (0.47) MAPK10JUNMAPK8SRCAXL
SCHEMBL16514147 0.89 SYK (0.47) MAPK10JUNMAPK8SRCAXL

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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