SCHEMBL4821763

SCHEMBL4821763

COC(=O)Nc1ccc(-c2nc(CC(NC(=O)OC(C)(C)C)c3ccccc3)n(C)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.43
JAK2 O60674 2/20 0.40
PTPRB P23467 4/20 0.40
CYP17A1 P05093 2/20 0.37
MAPKAPK2 P49137 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL1196769 1.00 F11 (0.43) F11JAK2PTPRBCYP17A1MAPKAPK2
SCHEMBL1196767 0.84 F11 (0.53) F11JAK2PTPRBCYP17A1
SCHEMBL1196626 0.81 F11 (0.49) F11PTPRBCTSSCTSK
SCHEMBL4790723 0.79 F11 (0.41) F11JAK2PTPRBCYP17A1CTSS
SCHEMBL1196971 0.79 F11 (0.41) F11JAK2PTPRBCYP17A1CTSS
SCHEMBL478974 0.76 F11 (0.42) F11PTPRBCYP17A1
SCHEMBL1196925 0.76 PTPRB (0.43) F11PTPRBCYP17A1CTSSCTSK
SCHEMBL4142875 0.75 F11 (0.43) F11PTPRBCYP17A1CTSSCTSK
SCHEMBL1196625 0.74 F11 (0.69) F11PTPRB
SCHEMBL478713 0.73 F11 (0.40) F11PTPRBCYP17A1CTSSCTSK

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
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed