SCHEMBL20122528

SCHEMBL20122528

CC(S)N1CC(N2CCCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.31
MBTD1 Q05BQ5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL7699144 0.82 HRH3 (0.33) L3MBTL3MBTD1L3MBTL1FYN
SCHEMBL23977741 0.82 MEN1 (0.39)
SCHEMBL19836467 0.81 KDM4E (0.32)
SCHEMBL13860756 0.79 L3MBTL3 (0.33) L3MBTL3MBTD1L3MBTL1
SCHEMBL20655373 0.78 L3MBTL3 (0.46) L3MBTL3MBTD1L3MBTL1
SCHEMBL24185494 0.78 HRH3 (0.32) L3MBTL3MBTD1L3MBTL1FYN
SCHEMBL23822993 0.77 SIGMAR1 (0.33) L3MBTL3MBTD1L3MBTL1
SCHEMBL19699824 0.75 HRH3 (0.33) L3MBTL3MBTD1
SCHEMBL19966106 0.73 FDPS (0.35)
SCHEMBL19966103 0.73 FDPS (0.35)

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
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 US disclosed