SCHEMBL30939873

SCHEMBL30939873

Oc1ccc2c3ccnc(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 4/20 0.52
▸ DYRK2 Q92630 1/20 0.52
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ ABCB1 P08183 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ SRC P12931 2/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ WEE1 P30291 2/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ HTR7 P34969 2/20 0.35

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
SCHEMBL16123619 1.00 HASPIN (0.52) HASPINDYRK2ESR1ESR2ABCB1
SCHEMBL30939888 0.98 HASPIN (0.49) HASPINDYRK2ESR1ESR2ABCB1
SCHEMBL16123519 0.98 HASPIN (0.49) HASPINDYRK2ESR1ESR2ABCB1
SCHEMBL30939941 0.95 HASPIN (0.47) HASPINDYRK2ESR1ESR2CNR2
SCHEMBL16123614 0.95 HASPIN (0.47) HASPINDYRK2ESR1ESR2CNR2
SCHEMBL30939917 0.86 HASPIN (0.48) HASPINDYRK2ESR1ESR2
SCHEMBL16101221 0.86 HASPIN (0.48) HASPINDYRK2ESR1ESR2
SCHEMBL16102630 0.86 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL30939883 0.86 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL16123625 0.85 HASPIN (0.72) HASPINDYRK2

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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