SCHEMBL7217893

SCHEMBL7217893

CC(=O)NCC1(C)COC(c2nc(-c3ccnc(NCCC(N)=O)n3)c(-c3ccc(F)cc3)[nH]2)OC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.54
MAPK12 P53778 11/20 0.54
MAPK11 Q15759 11/20 0.54
MAPK14 Q16539 11/20 0.54
BRAF P15056 1/20 0.44

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
SCHEMBL5773214 0.94 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5767083 0.88 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771364 0.87 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5766667 0.87 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769620 0.86 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771725 0.86 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770633 0.85 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770114 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5768914 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771678 0.85 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14

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
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed