SCHEMBL6174028

SCHEMBL6174028

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 1/20 0.34
MMP2 P08253 5/20 0.33
MMP9 P14780 5/20 0.33
MMP1 P03956 4/20 0.33
MMP3 P08254 2/20 0.33
LIPE Q05469 2/20 0.33
PDE2A O00408 2/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CXCR3 P49682 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE3A Q14432 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
SCN9A Q15858 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
SCHEMBL6171486 0.86 POLB (0.39) POLBL3MBTL1ARMMP2MMP9
SCHEMBL6175196 0.85 IGF1R (0.45) AR
SCHEMBL6174616 0.85 IGF1R (0.40) POLBL3MBTL1ARMMP2MMP9
SCHEMBL17558396 0.85 POLB (0.39) POLBL3MBTL1ARMMP2MMP1
SCHEMBL6174008 0.85 POLB (0.41) POLBL3MBTL1ARLIPEPDE2A
SCHEMBL6171849 0.85 IGF1R (0.39) ARCYP3A4CYP2C9CYP2C19HRH4
SCHEMBL6175359 0.84 POLB (0.38) POLBL3MBTL1ARMMP2MMP9
SCHEMBL6173212 0.84 ADRB3 (0.40) POLBL3MBTL1ARLIPEPDE2A
SCHEMBL6174561 0.84 IGF1R (0.40) POLBL3MBTL1ARLIPEPDE2A
SCHEMBL6174854 0.83 POLB (0.36) POLBL3MBTL1ARMMP2MMP9

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