SCHEMBL29848176

SCHEMBL29848176

c1cc(OCCN2CCOCC2)cc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.46
▸ MAPK10 P53779 5/20 0.46
▸ JUN P05412 4/20 0.46
▸ MAPK8 P45983 4/20 0.46
▸ SRC P12931 2/20 0.45
▸ SYK P43405 3/20 0.45
▸ AIMP2 Q13155 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ BTK Q06187 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ TTK P33981 1/20 0.42
▸ ITK Q08881 1/20 0.41
▸ WEE1 P30291 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ BRD4 O60885 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
SCHEMBL16515150 1.00 PRKCQ (0.46) PRKCQMAPK10JUNMAPK8SRC
SCHEMBL16514308 0.95 AIMP2 (0.49) PRKCQMAPK10JUNMAPK8SRC
SCHEMBL16514604 0.92 MAPK10 (0.47) MAPK10JUNMAPK8SRCSYK
SCHEMBL29847900 0.92 MAPK10 (0.47) MAPK10JUNMAPK8SRCSYK
SCHEMBL16513536 0.92 MAPK10 (0.53) PRKCQMAPK10JUNMAPK8SRC
SCHEMBL29847682 0.92 MAPK10 (0.53) PRKCQMAPK10JUNMAPK8SRC
SCHEMBL29847519 0.90 SRC (0.44) PRKCQSRCSYKAIMP2EGFR
SCHEMBL29847446 0.90 SYK (0.43) MAPK10JUNMAPK8SRCSYK
SCHEMBL16513648 0.90 SRC (0.44) PRKCQSRCSYKAIMP2EGFR
SCHEMBL16513803 0.90 SYK (0.43) MAPK10JUNMAPK8SRCSYK

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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