SCHEMBL4603565

SCHEMBL4603565

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)C4CCOC4)CC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.70
MAPK14 Q16539 4/20 0.62
MAPK12 P53778 2/20 0.58
MAPK11 Q15759 2/20 0.58
MAPK9 P45984 1/20 0.58
PTK2 Q05397 12/20 0.57
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C8 P10632 1/20 0.54
NAMPT P43490 1/20 0.51

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
SCHEMBL4604110 0.89 MAPK14 (0.68) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL4602777 0.87 MAPK14 (0.66) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL4605357 0.84 MAPK14 (0.60) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL4603204 0.84 MAPK14 (0.68) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL16859849 0.83 MAPK13 (1.00) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL2951206 0.82 MAPK14 (0.74) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL2953791 0.82 MAPK14 (0.74) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL4602154 0.82 MAPK14 (0.73) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL4602075 0.81 MAPK14 (0.72) MAPK13MAPK14MAPK12MAPK11MAPK9
SCHEMBL4604560 0.81 MAPK14 (0.78) MAPK13MAPK14MAPK12MAPK11MAPK9

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