SCHEMBL30939899

SCHEMBL30939899

COc1ccc2c3ccnc(C)c3n(CCN(C)C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 1.00
▸ HTR2A P28223 2/20 1.00
▸ HTR2C P28335 2/20 1.00
▸ HASPIN Q8TF76 4/20 0.85
▸ MAOA P21397 2/20 0.66
▸ ACHE P22303 1/20 0.66

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
SCHEMBL16123585 1.00 DYRK1A (1.00) DYRK1AHTR2AHTR2CHASPINMAOA
SCHEMBL30663727 0.93 HASPIN (0.94) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL16102805 0.93 HASPIN (0.94) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL15227840 0.92 HASPIN (1.00) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL20340616 0.90 DYRK1A (0.88) DYRK1AHTR2AHTR2CHASPINMAOA
SCHEMBL16123601 0.88 DYRK1A (0.78) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL30629773 0.88 DYRK1A (0.78) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL13875060 0.88 HASPIN (0.88) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL17517503 0.88 DYRK1A (0.88) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL19458783 0.87 DYRK1A (0.77) DYRK1AHTR2AHTR2CHASPIN

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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