SCHEMBL3388686

SCHEMBL3388686

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2cnc(OC3CCN(C(=O)c4sccc4C)CC3)c(Cl)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 1/20 0.35
CHRM2 P08172 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.34
DDR2 Q16832 1/20 0.34
GPR119 Q8TDV5 6/20 0.34
MALT1 Q9UDY8 2/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL3392858 0.89 MALT1 (0.38) NPBWR1MCHR1MAPK14GPR119MALT1
SCHEMBL3394279 0.87 MALT1 (0.37) NPBWR1MCHR1MAPK14GPR119MALT1
SCHEMBL3388683 0.87 MAPK14 (0.46) MAPK14DDR2
SCHEMBL3170675 0.81 NPY2R (0.35) NPBWR1MCHR1MAPK14MALT1LMNA
SCHEMBL3390218 0.79 MAPK14 (0.51) MAPK14DDR2
SCHEMBL3389743 0.77 PTK2B (0.35) SIGLEC9KMT2AMAPK14DDR2LMNA
SCHEMBL3390581 0.74 P2RY12 (0.37) KMT2AMAPK14
SCHEMBL3392854 0.74 MAPK13 (0.52) MAPK14
SCHEMBL3170652 0.74 MAPK14 (0.36) MAPK14
SCHEMBL3388949 0.74 HTR1A (0.34) SIGLEC9KMT2AMAPK14LMNARAB9A

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