SCHEMBL4602779

SCHEMBL4602779

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.45
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 3/20 0.42
NAMPT P43490 2/20 0.41
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK9 P45984 1/20 0.39
PTK2 Q05397 5/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CDK8 P49336 1/20 0.38

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) MAPK13MAPTMAPK14MAPK12MAPK11
SCHEMBL4602876 0.89 MAPK14 (0.42) MAPK13MAPTSMN1; SMN2MAPK14NAMPT
SCHEMBL3390558 0.89 MAPK13 (0.40) MAPK13MAPTMAPK1SMN1; SMN2MAPK14
SCHEMBL4603475 0.87 MAPK14 (0.40) MAPK13MAPTSMN1; SMN2MAPK14MAPK12
SCHEMBL2953750 0.86 MAPK14 (0.40) MAPK13MAPTMAPK1MAPK14MAPK12
SCHEMBL3392858 0.83 MALT1 (0.38) MAPK13MAPK14PTK2
SCHEMBL4602777 0.81 MAPK14 (0.66) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL3175386 0.81 KDM4E (0.38) MAPK13MAPTMAPK14NAMPTMAPK12
SCHEMBL3389956 0.80 RAB9A (0.36) MAPK13MAPTSMN1; SMN2MAPK14MAPK12
SCHEMBL3390498 0.79 RAB9A (0.36) MAPK13MAPTMAPK14MAPK12MAPK11

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