SCHEMBL16102589

SCHEMBL16102589

O=C1c2ccccc2C(=O)N1CCCCn1c2cc(O)ccc2c2ccnc(C(F)(F)F)c21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 3/20 0.51
▸ DYRK2 Q92630 2/20 0.51
▸ POLB P06746 1/20 0.39
▸ CXCR4 P61073 3/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ METAP2 P50579 1/20 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
SCHEMBL30939882 1.00 HASPIN (0.51) HASPINDYRK2POLBCXCR4OPRM1
SCHEMBL30939934 0.86 HASPIN (0.71) HASPINDYRK2DYRK1A
SCHEMBL16102858 0.86 HASPIN (0.71) HASPINDYRK2DYRK1A
SCHEMBL16101182 0.85 DYRK1A (0.51) HASPINDYRK1A
SCHEMBL30939927 0.85 DYRK1A (0.51) HASPINDYRK1A
SCHEMBL15236151 0.83 DYRK1A (0.49) HASPINDYRK1A
SCHEMBL15227864 0.82 HASPIN (0.72) HASPINDYRK2DYRK1A
SCHEMBL30939871 0.82 HASPIN (0.72) HASPINDYRK2DYRK1A
SCHEMBL30939873 0.77 HASPIN (0.52) HASPINDYRK2
SCHEMBL16123619 0.77 HASPIN (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113416187-A Alkylamine peganine derivatives for promoting bone growth 奥斯特克有限公司 2021-09-21 — — CN disclosed
CN-105120863-B Alkylamine peganine derivatives for promoting bone growth 奥斯特克有限公司 2021-06-04 — — CN disclosed
EP-2968284-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH Osteoqc Inc. (CA) 2016-01-20 — — EP disclosed
WO-2014153203-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSSIFI INC. (US) 2014-09-25 — — WO disclosed
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