SCHEMBL29533531

SCHEMBL29533531

Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.48
▸ MAPK14 Q16539 3/20 0.46
▸ PIK3C3 Q8NEB9 2/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL22660077 1.00 GSK3B (0.48) GSK3BMAPK14PIK3C3MAPK8MAPK10
SCHEMBL22659499 0.91 ABL1 (0.42) GSK3BMAPK14ABL1
SCHEMBL29533400 0.91 ABL1 (0.42) GSK3BMAPK14ABL1
SCHEMBL29532924 0.91 ABL1 (0.42) GSK3BMAPK14ABL1
SCHEMBL22659490 0.91 ABL1 (0.42) GSK3BMAPK14ABL1
SCHEMBL22664858 0.90 ABL1 (0.44) ABL1
SCHEMBL29533532 0.90 ABL1 (0.44) ABL1
SCHEMBL22664861 0.90 ABL1 (0.44) ABL1
SCHEMBL22664601 0.89 GSK3B (0.47) GSK3BPIK3C3MAPK8MAPK10
SCHEMBL29533456 0.89 GSK3B (0.47) GSK3BPIK3C3MAPK8MAPK10

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
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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