SCHEMBL29848034

SCHEMBL29848034

Nc1ccc(Nc2ncc3ccnc(-c4cccc(OCCN5CCOCC5)c4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.49
▸ SYK P43405 2/20 0.48
▸ EGFR P00533 3/20 0.46
▸ BTK Q06187 2/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ PRKCQ Q04759 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ AXL P30530 1/20 0.43
▸ ITK Q08881 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PIK3CA P42336 1/20 0.42

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
SCHEMBL29847808 0.92 SRC (0.49) SRCSYKEGFRBTKCDK1
SCHEMBL29847732 0.92 SRC (0.47) SRCSYKEGFRBTKCDK1
SCHEMBL16823173 0.92 SRC (0.47) SRCSYKEGFRBTKCDK1
SCHEMBL29847814 0.88 MYLK4 (0.46) SRCSYKEGFRBTKCDK1
SCHEMBL16822855 0.88 MYLK4 (0.46) SRCSYKEGFRBTKCDK1
SCHEMBL16515228 0.88 AIMP2 (0.48) SRCSYKEGFRBTKCCNA2
SCHEMBL29847941 0.88 AIMP2 (0.48) SRCSYKEGFRBTKCCNA2
SCHEMBL16822894 0.85 EGFR (0.44) SRCSYKEGFRBTKCDK1
SCHEMBL29847519 0.84 SRC (0.44) SRCSYKEGFRBTKPRKCQ
SCHEMBL16513648 0.84 SRC (0.44) SRCSYKEGFRBTKPRKCQ

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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