SCHEMBL6175237

SCHEMBL6175237

CCOC(c1ccnc(N2CCCC2)c1)C1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.43
SCN9A Q15858 2/20 0.41
ABL1 P00519 5/20 0.36
PDE2A O00408 1/20 0.34
MCHR1 Q99705 1/20 0.34
KCNH2 Q12809 1/20 0.34
AR P10275 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
MMP2 P08253 3/20 0.33
MMP1 P03956 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
LCAT P04180 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
SCHEMBL6173979 0.88 IGF1R (0.42) PDE2A
SCHEMBL6173358 0.81 CCR6 (0.43) CCR6SCN9AABL1PDE2AMCHR1
SCHEMBL6172891 0.80 CCR6 (0.34) CCR6PDE2AAR
SCHEMBL6173978 0.77 CCR6 (0.46) CCR6SCN9AABL1MCHR1AR
SCHEMBL6173992 0.77 CCR6 (0.40) CCR6SCN9AABL1PDE2AMCHR1
SCHEMBL6172122 0.75 ABL1 (0.46) CCR6SCN9AABL1MCHR1GPR139
SCHEMBL6172577 0.74 ABL1 (0.46) CCR6SCN9AABL1MCHR1GPR139
SCHEMBL6173980 0.72 CCR6 (0.42) CCR6SCN9AABL1PDE2AMCHR1
SCHEMBL6173486 0.71 ABL1 (0.46) CCR6SCN9AABL1MCHR1
SCHEMBL2937083 0.70 IGF1R (0.52) CCR6

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