SCHEMBL30939894

SCHEMBL30939894

Cc1nccc2c3ccc(O)cc3n(CC(C)N(C)C)c12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 17/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HASPIN Q8TF76 3/20 0.45
▸ ACHE P22303 1/20 0.43
▸ MAOA P21397 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
SCHEMBL16123580 1.00 DYRK1A (0.47) DYRK1AHTR2AHTR2CHASPINACHE
SCHEMBL27939720 0.88 DYRK1A (0.50) DYRK1AHTR2AHTR2CHASPINACHE
SCHEMBL30939924 0.84 HASPIN (0.45) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL16123610 0.84 HASPIN (0.45) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL30940009 0.84 DYRK1A (0.69) DYRK1AHTR2AHTR2CHASPINACHE
SCHEMBL16123598 0.84 DYRK1A (0.69) DYRK1AHTR2AHTR2CHASPINACHE
SCHEMBL16123581 0.81 PER2 (0.34) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL30939987 0.81 PER2 (0.34) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL27921175 0.81 DYRK1A (0.67) DYRK1AHTR2AHTR2CHASPINACHE
Formic Acid SCHEMBL21987757 0.81 DYRK1A (0.61) DYRK1AHTR2AHTR2CHASPINACHE

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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