SCHEMBL30939975

SCHEMBL30939975

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.72
▸ HTR2A P28223 2/20 0.72
▸ HTR2C P28335 2/20 0.72
▸ HASPIN Q8TF76 7/20 0.72
▸ DYRK2 Q92630 1/20 0.72
▸ MAOA P21397 1/20 0.48

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
SCHEMBL16123609 1.00 DYRK1A (0.72) DYRK1AHTR2AHTR2CHASPINDYRK2
SCHEMBL16123584 0.89 HASPIN (0.66) DYRK1AHTR2AHTR2CHASPINDYRK2
SCHEMBL16130002 0.88 HASPIN (0.67) DYRK1AHTR2AHTR2CHASPINDYRK2
SCHEMBL16123595 0.85 HASPIN (0.73) DYRK1AHTR2AHTR2CHASPINDYRK2
SCHEMBL16097994 0.84 HASPIN (0.52) DYRK1AHTR2AHTR2CHASPINDYRK2
SCHEMBL30939925 0.84 HASPIN (0.52) DYRK1AHTR2AHTR2CHASPINDYRK2
SCHEMBL16123585 0.84 DYRK1A (1.00) DYRK1AHTR2AHTR2CHASPINMAOA
SCHEMBL30939899 0.84 DYRK1A (1.00) DYRK1AHTR2AHTR2CHASPINMAOA
SCHEMBL12287315 0.84 HASPIN (1.00) DYRK1AHASPINDYRK2
SCHEMBL30939918 0.83 HASPIN (0.64) DYRK1AHTR2AHTR2CHASPINDYRK2

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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