SCHEMBL5773358

SCHEMBL5773358

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccc(OC)cc4)n3)[nH]2)OC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.55
MAPK13 O15264 10/20 0.55
MAPK12 P53778 10/20 0.55
MAPK11 Q15759 10/20 0.55
MAPK9 P45984 2/20 0.55
RAF1 P04049 1/20 0.55
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MAPK10 P53779 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
SCHEMBL5767853 0.93 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770614 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769740 0.89 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771427 0.89 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5772048 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769065 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770910 0.87 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5768797 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769729 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6805067 0.86 MAPK14 (0.52) 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 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
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed