SCHEMBL6175033

SCHEMBL6175033

CC(c1ccnc(NC(=O)NCc2ccccc2)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.41
EPHX2 P34913 3/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
NAMPT P43490 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
PPARA Q07869 2/20 0.37
SLC5A1 P13866 1/20 0.37
MET P08581 1/20 0.37
OPRM1 P35372 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
SCHEMBL6173730 0.89 IDH1 (0.42) MAPK1EPHX2LMNA
SCHEMBL6173973 0.88 IGF1R (0.46) MAPK1
SCHEMBL6176514 0.87 NAMPT (0.41) MAPK1NAMPT
SCHEMBL6171770 0.86 LMNA (0.43) MAPK1LMNASLC5A1
SCHEMBL6175038 0.85 LMNA (0.38) MAPK1LMNAKCNH2SCN5ASCN9A
SCHEMBL6172737 0.83 MAPK1 (0.37) MAPK1LMNASLC5A1
SCHEMBL6173626 0.83 SLC5A1 (0.37) MAPK1LMNASLC5A1
SCHEMBL6172794 0.83 MAPK1 (0.42) MAPK1EPHX2PTGS2GSK3BKCNH2
SCHEMBL6177007 0.82 TDP1 (0.42) LMNAGSK3BSLC5A1
SCHEMBL6177220 0.82 LMNA (0.40) LMNATRPV1SLC5A1

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