SCHEMBL4602876

SCHEMBL4602876

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
MAPT P10636 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 1/20 0.41
MAPK13 O15264 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK12 P53778 2/20 0.39

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
SCHEMBL4602880 0.90 MAPK14 (0.43) MAPK14MAPTMEN1KMT2AMAPK13
SCHEMBL4602779 0.89 MAPK13 (0.45) MAPK14MAPTMEN1KMT2ANAMPT
SCHEMBL4603475 0.86 MAPK14 (0.40) MAPK14MAPTLMNAMAPK13CA12
SCHEMBL2953750 0.86 MAPK14 (0.40) MAPK14MAPTLMNAMAPK13CA12
SCHEMBL4602870 0.80 MAPK14 (0.67) MAPK14MAPK13CYP2C9MAPK12MAPK11
SCHEMBL3390571 0.80 PANK3 (0.36) MAPK14MAPTMAPK13KDM4ESMN1; SMN2
SCHEMBL3390558 0.80 MAPK13 (0.40) MAPK14MAPTMAPK13KDM4EALDH1A1
SCHEMBL3389956 0.78 RAB9A (0.36) MAPK14MAPTMAPK13KDM4EALDH1A1
SCHEMBL4602075 0.78 MAPK14 (0.72) MAPK14MAPK13CYP2C9MAPK12MAPK11
SCHEMBL3175386 0.78 KDM4E (0.38) MAPK14MAPTMEN1KMT2ANAMPT

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