SCHEMBL30939883

SCHEMBL30939883

Oc1ccc2c3ccnc(C(F)(F)F)c3n(CCCN3CCNCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 4/20 0.49
▸ DYRK2 Q92630 1/20 0.49
▸ XDH P47989 1/20 0.39
▸ CXCR4 P61073 7/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ ADRB1 P08588 1/20 0.35
▸ DYRK1A Q13627 4/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL16102630 1.00 HASPIN (0.49) HASPINDYRK2XDHCXCR4KCNH2
SCHEMBL30939974 0.94 HASPIN (0.46) HASPINDYRK2XDHCXCR4KCNH2
SCHEMBL16102546 0.94 HASPIN (0.46) HASPINDYRK2XDHCXCR4KCNH2
SCHEMBL30939888 0.88 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL16123519 0.88 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL16123619 0.86 HASPIN (0.52) HASPINDYRK2ESR1ESR2
SCHEMBL30939873 0.86 HASPIN (0.52) HASPINDYRK2ESR1ESR2
SCHEMBL16123603 0.85 HASPIN (0.69) HASPINDYRK2DYRK1A
SCHEMBL30939884 0.85 HASPIN (0.69) HASPINDYRK2DYRK1A
SCHEMBL16123663 0.85 DYRK1A (0.49) HASPINDYRK1A

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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