SCHEMBL4641732

SCHEMBL4641732

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCN(C(=O)O)CC3)nc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
MAPK13 O15264 6/20 0.52
MAPK12 P53778 6/20 0.52
MAPK11 Q15759 6/20 0.52
DDR2 Q16832 2/20 0.52
PTK2B Q14289 4/20 0.51
PTK2 Q05397 4/20 0.49
TNF P01375 2/20 0.48
CIT O14578 1/20 0.48
MUSK O15146 1/20 0.48
MAP3K7 O43318 1/20 0.48
RIPK2 O43353 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
RAF1 P04049 1/20 0.48
NTRK1 P04629 1/20 0.48
HSPB1 P04792 1/20 0.48

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
SCHEMBL3180524 0.91 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3180128 0.90 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3171155 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3392838 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3392618 0.87 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3388852 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3388913 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3390159 0.84 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL13007186 0.83 CDK8 (0.43) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5470405 0.78 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2

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-1943243-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 EP disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 WO disclosed