SCHEMBL29847808

SCHEMBL29847808

Nc1ccc(Nc2ncc3ccnc(-c4cccc(OCCN5CCOCC5)c4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.49
▸ SYK P43405 2/20 0.47
▸ EGFR P00533 4/20 0.45
▸ BTK Q06187 1/20 0.45
▸ PRKCQ Q04759 2/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ AIMP2 Q13155 2/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ITK Q08881 2/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 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
SCHEMBL29848034 0.92 SRC (0.49) SRCSYKEGFRBTKPRKCQ
SCHEMBL29847941 0.90 AIMP2 (0.48) SRCSYKEGFRBTKPRKCQ
SCHEMBL16515228 0.90 AIMP2 (0.48) SRCSYKEGFRBTKPRKCQ
SCHEMBL29847820 0.89 SYK (0.46) SRCSYKEGFRBTKCDK1
SCHEMBL29847732 0.89 SRC (0.47) SRCSYKEGFRBTKPRKCQ
SCHEMBL16823173 0.89 SRC (0.47) SRCSYKEGFRBTKPRKCQ
SCHEMBL29847519 0.86 SRC (0.44) SRCSYKEGFRBTKPRKCQ
SCHEMBL16513648 0.86 SRC (0.44) SRCSYKEGFRBTKPRKCQ
SCHEMBL29847814 0.85 MYLK4 (0.46) SRCSYKEGFRBTKPRKCQ
SCHEMBL16822855 0.85 MYLK4 (0.46) 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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