SCHEMBL29848065

SCHEMBL29848065

Fc1ccc(OCCN2CCOCC2)cc1-c1cccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 5/20 0.48
▸ MAPK8 P45983 5/20 0.48
▸ MAPK10 P53779 5/20 0.48
▸ SYK P43405 4/20 0.47
▸ LRRK2 Q5S007 1/20 0.46
▸ EGFR P00533 3/20 0.45
▸ BTK Q06187 1/20 0.45
▸ SRC P12931 1/20 0.44
▸ STAT6 P42226 2/20 0.44
▸ WEE1 P30291 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL16514508 1.00 JUN (0.48) JUNMAPK8MAPK10SYKLRRK2
SCHEMBL16513858 0.95 JUN (0.51) JUNMAPK8MAPK10SYKEGFR
SCHEMBL29847734 0.95 JUN (0.51) JUNMAPK8MAPK10SYKEGFR
SCHEMBL29847725 0.94 JUN (0.48) JUNMAPK8MAPK10SYKLRRK2
SCHEMBL16513571 0.94 JUN (0.48) JUNMAPK8MAPK10SYKLRRK2
SCHEMBL16515355 0.93 EGFR (0.47) JUNMAPK8MAPK10SYKEGFR
SCHEMBL16514888 0.92 SYK (0.47) JUNMAPK8MAPK10SYKEGFR
SCHEMBL29847883 0.92 SYK (0.47) JUNMAPK8MAPK10SYKEGFR
SCHEMBL16513959 0.89 LRRK2 (0.45) SYKLRRK2EGFRBTKSTAT6
SCHEMBL29848365 0.89 LRRK2 (0.45) SYKLRRK2EGFRBTKSTAT6

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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