SCHEMBL6175039

SCHEMBL6175039

CC(c1ccnc(-c2ccc(Cl)cc2)c1)C1(C(C)c2ccnc(-c3ccc(Cl)cc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.37
MAPT P10636 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
GCGR P47871 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
SCN9A Q15858 1/20 0.35
DHODH Q02127 1/20 0.34
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MARS1 P56192 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL6172398 0.92 MAT2A (0.43) MAT2AMAPTSCN10AL3MBTL1POLB
SCHEMBL6176736 0.92 MAT2A (0.38) MAT2AMAPTSCN10AL3MBTL1POLB
SCHEMBL6173212 0.87 ADRB3 (0.40) MAPTL3MBTL1POLBNPBWR1MCHR1
SCHEMBL6173751 0.86 NPBWR1 (0.35) MAPTL3MBTL1POLBNPBWR1MCHR1
SCHEMBL6175911 0.85 THRB (0.38) MAPTPTGS1PTGS2ARCYP2C9
SCHEMBL6174008 0.84 POLB (0.41) MAPTL3MBTL1POLBMAPK1NPBWR1
SCHEMBL17558396 0.84 POLB (0.39) L3MBTL1POLBMAPK1NPBWR1MCHR1
SCHEMBL6175359 0.83 POLB (0.38) L3MBTL1POLBMAPK1NPBWR1MCHR1
SCHEMBL6171486 0.81 POLB (0.39) L3MBTL1POLBNPBWR1MCHR1SCN9A
SCHEMBL6171179 0.81 POLB (0.37) L3MBTL1POLBMAPK1NPBWR1MCHR1

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