SCHEMBL30425762

SCHEMBL30425762

O=C(Nc1cc2cc(Br)ccc2cn1)C1CC1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.89
GSK3B P49841 4/20 0.62
DYRK1A Q13627 4/20 0.62
JAK2 O60674 1/20 0.62
TYK2 P29597 1/20 0.62
WNT1 P04628 3/20 0.60

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
SCHEMBL20946112 1.00 ABL1 (0.89) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL9938850 0.94 ABL1 (1.00) ABL1
SCHEMBL19516245 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516243 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL30005066 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19544273 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516307 0.92 ABL1 (0.76) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL30005555 0.92 ABL1 (0.76) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516034 0.91 ABL1 (0.75) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516228 0.91 ABL1 (0.75) ABL1GSK3BDYRK1AJAK2TYK2

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-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN disclosed