SCHEMBL6076038

SCHEMBL6076038

CC1(CN)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCC([NH])=O)n3)[nH]2)OC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
MAPK13 O15264 11/20 0.62
MAPK12 P53778 11/20 0.62
MAPK11 Q15759 11/20 0.62

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
SCHEMBL5771970 0.93 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769627 0.93 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769299 0.88 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768914 0.88 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773545 0.88 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772529 0.88 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771622 0.88 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769983 0.87 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768613 0.87 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770078 0.87 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11

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-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed