SCHEMBL5770752

SCHEMBL5770752

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC)n3)[nH]2)OC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
RPS6KA3 P51812 1/20 0.45
BRAF P15056 1/20 0.43

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
SCHEMBL5772001 0.90 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5772757 0.89 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773161 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770431 0.88 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5767983 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5767853 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5768167 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5771682 0.87 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768257 0.87 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771787 0.86 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1

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