SCHEMBL30939918

SCHEMBL30939918

COc1ccc2c3ccnc(C(F)(F)F)c3n(CC(C)N(C)C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 5/20 0.64
▸ DYRK2 Q92630 2/20 0.64
▸ DYRK1A Q13627 15/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ ACHE P22303 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ DYRK3 O43781 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ DYRK4 Q9NR20 1/20 0.45
▸ DYRK1B Q9Y463 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
SCHEMBL16123504 1.00 HASPIN (0.64) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16126053 0.86 HASPIN (0.46) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123610 0.85 HASPIN (0.45) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL30939924 0.85 HASPIN (0.45) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123598 0.85 DYRK1A (0.69) HASPINDYRK1AHTR2AHTR2CACHE
SCHEMBL30940009 0.85 DYRK1A (0.69) HASPINDYRK1AHTR2AHTR2CACHE
SCHEMBL30939975 0.83 DYRK1A (0.72) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123609 0.83 DYRK1A (0.72) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123511 0.82 HASPIN (0.60) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL30939909 0.82 HASPIN (0.60) HASPINDYRK2DYRK1AHTR2AHTR2C

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-113416187-B Alkylamine harmine derivatives for promoting bone growth 奥斯菲治疗有限公司 2024-07-19 — — CN disclosed
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