SCHEMBL4604375

SCHEMBL4604375

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.66
MAPK13 O15264 6/20 0.62
MAPK12 P53778 5/20 0.62
MAPK11 Q15759 5/20 0.62
MAPK9 P45984 2/20 0.60
DDR2 Q16832 1/20 0.60
PTK2 Q05397 9/20 0.59
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C8 P10632 1/20 0.56

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
SCHEMBL4603471 0.97 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL3389902 0.90 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4604292 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4602537 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4602532 0.87 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2953747 0.87 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4604368 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2951206 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2953791 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4602075 0.83 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11MAPK9

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