SCHEMBL28384226

SCHEMBL28384226

CN(C)CCOc1ccc(-c2cccc3cnc(Nc4ccccc4N4CCOCC4)nc23)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.46
▸ JUN P05412 2/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ ERBB3 P21860 4/20 0.40
▸ EGFR P00533 3/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ MAPK15 Q8TD08 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28388186 0.94 TTK (0.46) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL28382474 0.88 TTK (0.54) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL28887734 0.88 TTK (0.53) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL29847697 0.88 JUN (0.51) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL16513629 0.88 JUN (0.51) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL28388793 0.87 PIM1 (0.39) ERBB3EGFRPIM1PIM2PIK3CD
SCHEMBL28388525 0.87 TTK (0.47) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL28384112 0.87 TTK (0.46) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL16513785 0.85 MAPK10 (0.45) TTKJUNMAPK8MAPK10ERBB3
SCHEMBL29848062 0.85 MAPK10 (0.45) TTKJUNMAPK8MAPK10ERBB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN disclosed
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