SCHEMBL4603452

SCHEMBL4603452

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CN3CCN(C(=O)C4CC4)CC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.64
MAPK13 O15264 4/20 0.61
MAPK12 P53778 2/20 0.59
MAPK11 Q15759 2/20 0.59
PTK2 Q05397 12/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
MAPK9 P45984 1/20 0.55
CYP2C8 P10632 1/20 0.55
CDK8 P49336 1/20 0.55

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
SCHEMBL4604532 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4602777 0.85 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4604110 0.85 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3878814 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3885881 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879620 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL5474647 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3881564 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4602913 0.84 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4602532 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PTK2

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