SCHEMBL28896871

SCHEMBL28896871

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](OS(C)(=O)=O)CN(C(=O)O)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.31
RIPK1 Q13546 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
SCHEMBL19408782 1.00 PPM1D (0.31) PPM1DRIPK1
SCHEMBL1443674 1.00 PPM1D (0.31) PPM1DRIPK1
SCHEMBL9932877 0.86 NR1H2 (0.40)
SCHEMBL16765747 0.86 NR1H2 (0.40)
SCHEMBL21850259 0.86 NR1H2 (0.40)
SCHEMBL9932878 0.86 NR1H2 (0.40)
SCHEMBL14428315 0.86 RIPK1 (0.31) RIPK1
SCHEMBL19940553 0.86 NR1H2 (0.40)
SCHEMBL1710287 0.83 PPM1D (0.33) PPM1D
SCHEMBL1710310 0.83 PPM1D (0.33) PPM1D

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
CN-112300172-A Bruton's tyrosine kinase inhibitors 比奥根MA公司 2021-02-02 CN disclosed
CN-107011330-B Bruton's tyrosine kinase inhibitors 比奥根MA公司 2020-07-03 CN disclosed