SCHEMBL6174730

SCHEMBL6174730

CC(c1ccncc1NC(=O)C1CCCCC1)C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.36
GSK3B P49841 5/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
IGF1R P08069 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAMPT P43490 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6175651 0.87 GSK3B (0.41) MAPTGSK3BKDM4EALDH1A1LMNA
SCHEMBL6173990 0.85 IGF1R (0.39) LMNAIGF1R
SCHEMBL6174745 0.85 IGF1R (0.34) LMNAIGF1R
SCHEMBL6173495 0.84 KCNK2 (0.41) MAPTGSK3BLMNAGAA
SCHEMBL6174000 0.83 DCTPP1 (0.35) RXFP1MAPTKDM4EALDH1A1LMNA
SCHEMBL6173749 0.82 KCNK2 (0.42) MAPTGSK3BLMNAIGF1RGAA
SCHEMBL6175146 0.82 LMNA (0.39) ALDH1A1LMNAIGF1R
SCHEMBL6175508 0.82 IGF1R (0.39) LMNAIGF1R
SCHEMBL6175915 0.82 IGF1R (0.42) RXFP1GSK3BIGF1R
SCHEMBL6174079 0.81 KCNK2 (0.45) MAPTKDM4EALDH1A1LMNATSHR

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed