SCHEMBL3388910

SCHEMBL3388910

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCNCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
MAPK13 O15264 2/20 0.53
MAPT P10636 2/20 0.53
MAPK11 Q15759 2/20 0.53
MAPK12 P53778 1/20 0.53
RAF1 P04049 1/20 0.50
LMNA P02545 1/20 0.48
FLT3 P36888 1/20 0.48
ERBB2 P04626 1/20 0.48

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
SCHEMBL3423893 0.88 MAPK14 (0.62) MAPK14MAPK13MAPK11MAPK12
SCHEMBL2956606 0.86 MAPK14 (0.64) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL2953566 0.84 MAPK14 (0.58) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL2959225 0.81 MAPK14 (0.51) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL2956884 0.80 MAPK14 (0.49) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL3174306 0.75 MAPK14 (0.59) MAPK14MAPK13MAPK11MAPK12
SCHEMBL4603225 0.74 MAPK14 (0.51) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4602243 0.74 MAPK14 (0.60) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL3419400 0.73 MAPK14 (0.56) MAPK14MAPK13MAPK11MAPK12
Hydrochloric Acid SCHEMBL4602456 0.73 MAPK14 (0.63) MAPK14MAPK13MAPTMAPK11MAPK12

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