SCHEMBL5771315

SCHEMBL5771315

CC1(C(=O)NCC#N)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCCC4)n3)[nH]2)OC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
MAPK13 O15264 10/20 0.62
MAPK12 P53778 10/20 0.62
MAPK11 Q15759 10/20 0.62

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
SCHEMBL5772408 0.96 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770480 0.94 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770429 0.91 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771179 0.91 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075224 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773803 0.90 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770164 0.90 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771195 0.90 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771006 0.90 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770819 0.90 MAPK14 (0.71) 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