SCHEMBL5767948

SCHEMBL5767948

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCCN4C=NCC4)n3)[nH]2)OC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.51
MAPK13 O15264 7/20 0.51
MAPK12 P53778 7/20 0.51
MAPK11 Q15759 7/20 0.51
MAPK10 P53779 2/20 0.36

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
SCHEMBL5770991 0.91 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768951 0.89 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769746 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5772227 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772598 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769553 0.86 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771702 0.86 MAPK13 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767950 0.86 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5769992 0.85 MAPK13 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770215 0.85 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK10

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 2 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-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed