SCHEMBL5769449

SCHEMBL5769449

CN(C)CCNc1nccc(-c2[nH]c(C3OCC(C)(C(=O)NC4CC4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.69
MAPK13 O15264 11/20 0.69
MAPK12 P53778 11/20 0.69
MAPK11 Q15759 11/20 0.69
BRAF P15056 1/20 0.40

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
SCHEMBL5769584 0.96 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5769667 0.96 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770618 0.93 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5773247 0.92 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768976 0.92 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5771485 0.92 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5769202 0.91 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5767969 0.91 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5768131 0.91 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5768625 0.90 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11BRAF

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
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