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Sugi Predict / Compounds / SCHEMBL4602849

SCHEMBL4602849

SCHEMBL4602849

CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.52
▸ MAPK11 Q15759 2/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK1 P04629 1/20 0.43

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
SCHEMBL2949165 0.87 MAPK14 (0.52) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4615515 0.84 MAPK14 (0.50) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4602299 0.83 MAPK14 (0.47) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL6142656 0.78 MAPK14 (0.66) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL2957603 0.75 MAPK14 (0.60) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL5475396 0.74 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12NTRK3
SCHEMBL5477709 0.74 CDK8 (0.53) MAPK14MAPK11MAPK13MAPK12NTRK3
SCHEMBL4604812 0.74 MAPK14 (0.57) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL2960045 0.74 MAPK14 (0.67) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL2950787 0.73 MAPK14 (0.56) MAPK14MAPK13

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-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 — — EP disclosed