SCHEMBL29847732

SCHEMBL29847732

c1cc(OCCN2CCOCC2)cc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ SYK P43405 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ JUN P05412 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CDK2 P24941 3/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ BACE1 P56817 1/20 0.45

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
SCHEMBL16823173 1.00 SRC (0.47) SRCJAK2PLK4SYKEGFR
SCHEMBL29847814 0.94 MYLK4 (0.46) SRCJAK2SYKEGFRJUN
SCHEMBL16822855 0.94 MYLK4 (0.46) SRCJAK2SYKEGFRJUN
SCHEMBL29848034 0.92 SRC (0.49) SRCJAK2SYKEGFRPIK3CA
SCHEMBL16515228 0.91 AIMP2 (0.48) SRCSYKEGFRPIK3CACDK2
SCHEMBL29847941 0.91 AIMP2 (0.48) SRCSYKEGFRPIK3CACDK2
SCHEMBL16823034 0.90 CDK1 (0.54) SRCJAK2PLK4EGFRCDK2
SCHEMBL29847977 0.90 CDK1 (0.54) SRCJAK2PLK4EGFRCDK2
SCHEMBL29847788 0.89 SYK (0.46) JAK2PLK4SYKJUNMAPK8
SCHEMBL29847808 0.89 SRC (0.49) SRCSYKEGFRPIK3CACDK2

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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