SCHEMBL29847941

SCHEMBL29847941

c1cc(OCCN2CCOCC2)cc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AIMP2 Q13155 2/20 0.48
▸ SRC P12931 2/20 0.47
▸ SYK P43405 2/20 0.46
▸ EGFR P00533 2/20 0.45
▸ BTK Q06187 1/20 0.45
▸ PIK3CA P42336 1/20 0.44
▸ BRAF P15056 2/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ AXL P30530 1/20 0.43
▸ PRKCQ Q04759 2/20 0.43
▸ MTOR P42345 1/20 0.42
▸ SMG1 Q96Q15 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ ACVR1 Q04771 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ITK Q08881 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
SCHEMBL16515228 1.00 AIMP2 (0.48) AIMP2SRCSYKEGFRBTK
SCHEMBL16513648 0.95 SRC (0.44) AIMP2SRCSYKEGFRBTK
SCHEMBL29847519 0.95 SRC (0.44) AIMP2SRCSYKEGFRBTK
SCHEMBL16823173 0.91 SRC (0.47) SRCSYKEGFRBTKPIK3CA
SCHEMBL29847732 0.91 SRC (0.47) SRCSYKEGFRBTKPIK3CA
SCHEMBL29847867 0.90 CDK1 (0.50) AIMP2SRCEGFRBRAFBACE1
SCHEMBL16514778 0.90 CDK1 (0.50) AIMP2SRCEGFRBRAFBACE1
SCHEMBL29847808 0.90 SRC (0.49) AIMP2SRCSYKEGFRBTK
SCHEMBL16515089 0.89 BRAF (0.44) AIMP2SRCSYKEGFRBTK
SCHEMBL29847932 0.89 BRAF (0.44) AIMP2SRCSYKEGFRBTK

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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