SCHEMBL30939917

SCHEMBL30939917

Oc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCCCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 2/20 0.48
▸ DYRK2 Q92630 1/20 0.48
▸ ESR1 P03372 12/20 0.38
▸ ESR2 Q92731 8/20 0.38
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ XDH P47989 1/20 0.35
▸ ROCK2 O75116 1/20 0.34

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
SCHEMBL16101221 1.00 HASPIN (0.48) HASPINDYRK2ESR1ESR2GRIN1
SCHEMBL30939941 0.91 HASPIN (0.47) HASPINDYRK2ESR1ESR2
SCHEMBL16123614 0.91 HASPIN (0.47) HASPINDYRK2ESR1ESR2
SCHEMBL30939974 0.90 HASPIN (0.46) HASPINDYRK2GRIN1GRIN2BXDH
SCHEMBL16102546 0.90 HASPIN (0.46) HASPINDYRK2GRIN1GRIN2BXDH
SCHEMBL16126059 0.87 HASPIN (0.51) HASPINDYRK2GRIN1GRIN2B
SCHEMBL30939873 0.86 HASPIN (0.52) HASPINDYRK2ESR1ESR2
SCHEMBL16123519 0.86 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL30939888 0.86 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL16123619 0.86 HASPIN (0.52) HASPINDYRK2ESR1ESR2

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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