SCHEMBL30747447

SCHEMBL30747447

[2H]C([2H])([2H])O[C@@H]1CC(C(=O)O)C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CTSK P43235 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.31
MAPK1 P28482 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
SCHEMBL22042577 0.90 BTK (0.54) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL23912528 0.90 BTK (0.54) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL15777845 0.85 BTK (0.61) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL23912320 0.84 BTK (0.54) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL30747387 0.83 MEN1 (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL22042611 0.81 BTK (0.51) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL18209040 0.80 BTK (0.57) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3578826 0.80 BTK (0.57) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL22042355 0.79 BTK (0.55) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL5592105 0.79 BTK (0.55) BTKKDM1AMAOBNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522583-A2 PI3K ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-03-19 EP disclosed
CN-119486992-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2025-02-18 CN disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed