SCHEMBL25525583

SCHEMBL25525583

CC(C)(C)OC(=O)N[C@@H]1CCCC(CN)C1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.62
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.43
CTSK P43235 2/20 0.42
DRD2 P14416 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KAT8 Q9H7Z6 4/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL6643733 1.00 BTK (0.62) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL3900940 0.91 BTK (0.54) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL3899249 0.91 BTK (0.54) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL5549963 0.91 BTK (0.54) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL5524221 0.91 BTK (0.54) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL23236574 0.90 BTK (0.61) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL24449601 0.87 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL25319683 0.87 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL20689413 0.87 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL21027650 0.87 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed