SCHEMBL5769929

SCHEMBL5769929

CC1(C(=O)NCC#N)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccncc4)n3)[nH]2)OC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.66
MAPK13 O15264 11/20 0.66
MAPK12 P53778 11/20 0.66
MAPK11 Q15759 11/20 0.66
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5770861 0.97 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770316 0.94 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773803 0.93 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771629 0.92 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768062 0.92 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772478 0.91 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767669 0.91 MAPK13 (0.80) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5770209 0.91 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770029 0.91 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5771617 0.91 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KCNH2

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