SCHEMBL28814671

SCHEMBL28814671

C[C@@H](CNc1nc(Cl)ncc1Cl)CC(=N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.42
STK17A Q9UEE5 2/20 0.42
LRRK2 Q5S007 2/20 0.31
BCL6 P41182 1/20 0.30

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
SCHEMBL27987018 1.00 STK17B (0.42) STK17BSTK17ALRRK2BCL6
SCHEMBL27987019 0.78 STK17B (0.42) STK17BSTK17ABCL6
SCHEMBL27987021 0.78 STK17B (0.42) STK17BSTK17ABCL6
SCHEMBL1937173 0.77 STK17A (0.41) STK17BSTK17ABCL6
SCHEMBL1937307 0.75 ESR1 (0.49) STK17BSTK17ALRRK2BCL6
SCHEMBL20652230 0.72 STK17A (0.42) STK17BSTK17ALRRK2BCL6
SCHEMBL5246243 0.70 STK17B (0.49) STK17BSTK17A
SCHEMBL1935123 0.69 ALDH1A1 (0.41) STK17BSTK17A
SCHEMBL2061199 0.69 STK17B (0.40) STK17BSTK17ALRRK2
SCHEMBL28216784 0.68 STK17A (0.53) STK17BSTK17A

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
CN-104169272-A Pyrimidine-2,4-diamine derivatives as kinase inhibitors CELLZOME LTD 2014-11-26 CN disclosed