SCHEMBL6175359

SCHEMBL6175359

CC(C)c1cc(C(C)C2(C(C)c3ccnc(C(C)C)c3)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 5/20 0.37
PDE2A O00408 4/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
MMP2 P08253 3/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LIPE Q05469 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 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
SCHEMBL6174008 0.89 POLB (0.41) POLBL3MBTL1ARPDE2ANPBWR1
SCHEMBL17558396 0.89 POLB (0.39) POLBL3MBTL1ARPDE2ANPBWR1
SCHEMBL6173212 0.88 ADRB3 (0.40) POLBL3MBTL1ARPDE2ANPBWR1
SCHEMBL6171179 0.86 POLB (0.37) POLBL3MBTL1ARPDE2ANPBWR1
SCHEMBL6171486 0.86 POLB (0.39) POLBL3MBTL1ARPDE2ANPBWR1
SCHEMBL6205762 0.85 POLB (0.36) POLBL3MBTL1ARPDE2ANPBWR1
SCHEMBL6172626 0.85 IGF1R (0.40) POLBL3MBTL1ARPDE2ACYP3A4
SCHEMBL6174616 0.85 IGF1R (0.40) POLBL3MBTL1ARPDE2ACYP3A4
SCHEMBL4849527 0.85 PDE2A (0.37) POLBL3MBTL1ARPDE2ACYP3A4
SCHEMBL6173023 0.85 IGF1R (0.38) POLBL3MBTL1ARPDE2ACYP3A4

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