SCHEMBL5769013

SCHEMBL5769013

C=CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccc(OC)cc4)n3)[nH]2)OC1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.76
MAPK13 O15264 12/20 0.76
MAPK12 P53778 12/20 0.76
MAPK11 Q15759 12/20 0.76
MAPK9 P45984 2/20 0.46
RAF1 P04049 1/20 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
SCHEMBL5771190 0.95 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772254 0.93 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769044 0.93 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768554 0.91 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771007 0.91 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770670 0.91 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5768996 0.90 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771629 0.90 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770704 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771395 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK9

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
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
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