SCHEMBL3388904

SCHEMBL3388904

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)C4(C)CCCCC4)CC3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
MAPK13 O15264 4/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
PTK2 Q05397 12/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C8 P10632 1/20 0.51
MAPK9 P45984 1/20 0.50
CDK8 P49336 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL3390494 0.97 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3391933 0.96 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3389977 0.89 KCNJ6 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3391053 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4602490 0.86 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3393238 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3390236 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3392515 0.84 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3185809 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3389715 0.83 MAPK14 (0.60) 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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed