SCHEMBL29847519

SCHEMBL29847519

c1cc(OCCN2CCOCC2)cc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.44
▸ SYK P43405 3/20 0.44
▸ AIMP2 Q13155 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ PRKCQ Q04759 2/20 0.42
▸ ACVR1 Q04771 3/20 0.42
▸ MAPK9 P45984 2/20 0.41
▸ MAPKAPK2 P49137 2/20 0.41
▸ MYLK4 Q86YV6 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL16513648 1.00 SRC (0.44) SRCSYKAIMP2EGFRBTK
SCHEMBL16515228 0.95 AIMP2 (0.48) SRCSYKAIMP2EGFRBTK
SCHEMBL29847941 0.95 AIMP2 (0.48) SRCSYKAIMP2EGFRBTK
SCHEMBL29847814 0.92 MYLK4 (0.46) SRCSYKEGFRBTKPRKCQ
SCHEMBL16822855 0.92 MYLK4 (0.46) SRCSYKEGFRBTKPRKCQ
SCHEMBL29847765 0.91 KDR (0.47) SRCEGFRPRKCQACVR1MYLK4
SCHEMBL16513754 0.91 KDR (0.47) SRCEGFRPRKCQACVR1MYLK4
SCHEMBL16823227 0.90 SYK (0.44) SRCSYKAIMP2EGFRBTK
SCHEMBL16515150 0.90 PRKCQ (0.46) SRCSYKAIMP2EGFRBTK
SCHEMBL29848176 0.90 PRKCQ (0.46) SRCSYKAIMP2EGFRBTK

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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