SCHEMBL3392858

SCHEMBL3392858

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2cnc(OC3CCN(C(=O)C4CC4)CC3)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.38
GPR119 Q8TDV5 9/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK14 Q16539 2/20 0.34
BRAF P15056 1/20 0.33
PTK2 Q05397 1/20 0.33
P2RX3 P56373 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
SCHEMBL3388686 0.89 SIGLEC9 (0.35) MALT1GPR119NPBWR1MCHR1MAPK14
SCHEMBL3394279 0.88 MALT1 (0.37) MALT1GPR119NPBWR1MCHR1MAPK13
SCHEMBL3392854 0.84 MAPK13 (0.52) MAPK13MAPK14BRAFPTK2
SCHEMBL4602779 0.83 MAPK13 (0.45) MAPK13MAPK14PTK2
SCHEMBL3170675 0.82 NPY2R (0.35) MALT1NPBWR1MCHR1MAPK13MAPK14
SCHEMBL3390558 0.80 MAPK13 (0.40) GPR119MAPK13MAPK14BRAF
SCHEMBL3390581 0.78 P2RY12 (0.37) MAPK14PTK2
SCHEMBL4603475 0.75 MAPK14 (0.40) MAPK13MAPK14PTK2
SCHEMBL3392530 0.75 MAPK13 (0.56) MAPK13MAPK14BRAFPTK2
SCHEMBL3388683 0.75 MAPK14 (0.46) MAPK13MAPK14BRAFPTK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed