SCHEMBL29847697

SCHEMBL29847697

CN(C)CCOc1ccc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 5/20 0.51
▸ MAPK8 P45983 5/20 0.51
▸ MAPK10 P53779 5/20 0.51
▸ SYK P43405 2/20 0.48
▸ TTK P33981 1/20 0.47
▸ EGFR P00533 3/20 0.47
▸ ERBB3 P21860 3/20 0.47
▸ STAT6 P42226 3/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ CCNE1 P24864 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ FGFR4 P22455 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NTRK1 P04629 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44

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
SCHEMBL16513629 1.00 JUN (0.51) JUNMAPK8MAPK10SYKTTK
SCHEMBL16515090 0.94 JUN (0.51) JUNMAPK8MAPK10SYKTTK
SCHEMBL29848062 0.92 MAPK10 (0.45) JUNMAPK8MAPK10SYKTTK
SCHEMBL16513785 0.92 MAPK10 (0.45) JUNMAPK8MAPK10SYKTTK
SCHEMBL16514545 0.91 CDK4 (0.46) JUNMAPK8MAPK10EGFRERBB3
SCHEMBL29847455 0.91 CDK4 (0.46) JUNMAPK8MAPK10EGFRERBB3
SCHEMBL16515297 0.90 JUN (0.49) JUNMAPK8MAPK10SYKTTK
SCHEMBL29848104 0.89 JUN (0.51) JUNMAPK8MAPK10SYKTTK
SCHEMBL16823199 0.89 JUN (0.51) JUNMAPK8MAPK10SYKTTK
SCHEMBL16515095 0.88 SYK (0.46) JUNMAPK8MAPK10SYKTTK

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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