SCHEMBL4411181

SCHEMBL4411181

CN(C)c1cc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)sc3C(N)=O)c3ccccc23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.44
IRAK4 Q9NWZ3 1/20 0.40
RAF1 P04049 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL1599862 0.86 MAPK14 (0.47) MAPK14IRAK4RAF1NPSR1RXFP1
SCHEMBL1600330 0.83 MAPK10 (0.41) MAPK14IRAK4MAPK9MAPK10
SCHEMBL4410951 0.78 MAPK14 (0.55) MAPK14KDM4EALDH1A1HPGD
SCHEMBL1600460 0.76 MAPK14 (0.47) MAPK14IRAK4MAPK9MAPK10
SCHEMBL8537658 0.75 MAPK14 (0.46) MAPK14MAPK9
SCHEMBL5809092 0.75 AKR1C4 (0.42) MAPK14MAPK9MAPK10HTTAKR1C4
SCHEMBL4571044 0.74 MAPK14 (0.80) MAPK14
SCHEMBL8534468 0.73 MAPK14 (0.41) MAPK14MAPK9MAPK10
SCHEMBL5806276 0.72 MAPK14 (0.58) MAPK14
SCHEMBL4565126 0.72 MAPK14 (0.65) MAPK14

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
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO claimed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed