SCHEMBL5769680

SCHEMBL5769680

CC1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC(N)=O)n3)[nH]2)OC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.65
MAPK12 P53778 11/20 0.65
MAPK11 Q15759 11/20 0.65
MAPK14 Q16539 11/20 0.65
BRAF P15056 1/20 0.51
SOAT1 P35610 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
SCHEMBL5773260 0.94 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5768914 0.93 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770114 0.93 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770085 0.93 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771845 0.92 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5773209 0.91 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5773214 0.90 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770417 0.89 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771486 0.89 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771121 0.89 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14SOAT1

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 7 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
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed