SCHEMBL5771339

SCHEMBL5771339

Fc1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccnc(Nc3ccncc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.49
MAPK13 O15264 10/20 0.49
MAPK12 P53778 10/20 0.49
MAPK11 Q15759 10/20 0.49
RAF1 P04049 1/20 0.44
MAPK9 P45984 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
SCHEMBL5773164 0.95 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772631 0.93 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767653 0.90 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768257 0.89 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5768000 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769306 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770755 0.88 GSK3B (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770534 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5769572 0.87 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5769033 0.87 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11

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