SCHEMBL27457955

SCHEMBL27457955

Cn1cc(NC(=O)OC(C)(C)C)c(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ METAP1 P53582 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL20262326 0.81 MAPK14 (0.35) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL20262324 0.81 MAPK14 (0.35) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL20276702 0.81 LMNA (0.47) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL20262443 0.79 IRAK4 (0.41) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL31437491 0.79 LMNA (0.40) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL22857998 0.78 IRAK4 (0.45) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL27457665 0.77 GSK3B (0.37) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL22857997 0.77 CNR2 (0.53) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL27457954 0.77 GSK3B (0.40) ATRBRD9IRAK4GSK3BDYRK1A
SCHEMBL31555029 0.76 IRAK4 (0.41) IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
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