SCHEMBL4602880

SCHEMBL4602880

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 4/20 0.41
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
PTK2 Q05397 6/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK9 P45984 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.39
CDK8 P49336 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4602876 0.90 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4602779 0.90 MAPK13 (0.45) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4603475 0.87 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL2953750 0.87 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3180430 0.86 CDK8 (0.35) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3390651 0.86 SMO (0.37) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3391079 0.86 RBP4 (0.35) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3392905 0.85 SMO (0.39) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3389956 0.82 RAB9A (0.36) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3390558 0.81 MAPK13 (0.40) MAPK14MAPK13CYP2C9MAPTALDH1A1

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