SCHEMBL5769947

SCHEMBL5769947

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.59
MAPK12 P53778 8/20 0.59
MAPK11 Q15759 8/20 0.59
MAPK14 Q16539 8/20 0.59
BRAF P15056 5/20 0.46

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
SCHEMBL5769997 0.96 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5773225 0.93 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769671 0.93 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5767638 0.92 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5768082 0.91 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770560 0.91 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770425 0.91 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5772693 0.91 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5772499 0.91 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5772653 0.91 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14BRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed