SCHEMBL29847827

SCHEMBL29847827

c1cc(-c2cc(OCCN3CCOCC3)ccn2)c2nc(Nc3ccc(N4CCOCC4)nc3)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AIMP2 Q13155 1/20 0.46
▸ SYK P43405 3/20 0.45
▸ SRC P12931 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ BTK Q06187 1/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ AXL P30530 1/20 0.43
▸ JUN P05412 4/20 0.42
▸ MAPK8 P45983 4/20 0.42
▸ MAPK10 P53779 4/20 0.42
▸ FGFR2 P21802 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ SMG1 Q96Q15 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ ZAP70 P43403 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40

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
SCHEMBL16823092 1.00 AIMP2 (0.46) AIMP2SYKSRCEGFRBTK
SCHEMBL29847446 0.95 SYK (0.43) AIMP2SYKSRCEGFRBTK
SCHEMBL16513803 0.95 SYK (0.43) AIMP2SYKSRCEGFRBTK
SCHEMBL16823029 0.91 JUN (0.49) SYKSRCEGFRBACE1JUN
SCHEMBL16822934 0.90 BACE1 (0.46) AIMP2SYKSRCEGFRBTK
SCHEMBL29847463 0.90 BACE1 (0.46) AIMP2SYKSRCEGFRBTK
SCHEMBL29847963 0.89 FGFR2 (0.42) AIMP2SRCBTKJUNMAPK8
SCHEMBL16822852 0.89 FGFR2 (0.42) AIMP2SRCBTKJUNMAPK8
SCHEMBL16822880 0.89 SYK (0.45) AIMP2SYKSRCEGFRBTK
SCHEMBL29847550 0.89 SYK (0.45) AIMP2SYKSRCEGFRBTK

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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