SCHEMBL2324103

SCHEMBL2324103

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.57
CYP3A4 P08684 3/20 0.36
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
BRPF1 P55201 1/20 0.32
PLAU P00749 1/20 0.32
BRD4 O60885 3/20 0.32
BRD9 Q9H8M2 1/20 0.31
NR3C1 P04150 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
SCHEMBL2913565 0.93 CRBN (0.58) CRBNCYP3A4IKBKBCHUKBRPF1
SCHEMBL2914822 0.93 CRBN (0.58) CRBNCYP3A4IKBKBCHUKBRPF1
Alcohol SCHEMBL2909873 0.92 CRBN (0.64) CRBNCYP3A4IKBKBCHUKJAK2
Methyl Alcohol SCHEMBL2913736 0.91 CRBN (0.67) CRBNCYP3A4IKBKBCHUKJAK2
SCHEMBL2913931 0.91 CRBN (0.69) CRBNCYP3A4IKBKBCHUKJAK2
Propanol SCHEMBL2911013 0.91 CRBN (0.62) CRBNCYP3A4IKBKBCHUKJAK2
Water SCHEMBL2915433 0.90 CRBN (0.68) CRBNCYP3A4IKBKBCHUKJAK2
SCHEMBL2915262 0.89 CRBN (0.57) CRBNCYP3A4IKBKBCHUKBRPF1
Isopropyl Alcohol SCHEMBL2910113 0.89 CRBN (0.64) CRBNCYP3A4IKBKBCHUKJAK2
SCHEMBL2912470 0.89 CRBN (0.57) CRBNCYP3A4IKBKBCHUKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203431-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LAB (US) 2011-08-10 EP claimed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed