SCHEMBL5767255

SCHEMBL5767255

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.57
MAPK13 O15264 11/20 0.57
MAPK12 P53778 11/20 0.57
MAPK11 Q15759 11/20 0.57

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
SCHEMBL5772365 0.97 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771415 0.93 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770573 0.93 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5774172 0.91 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772465 0.91 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770306 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772799 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767958 0.89 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771678 0.89 MAPK13 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773148 0.89 MAPK13 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed