SCHEMBL7215202

SCHEMBL7215202

NC(=O)C1COC(Cc2nc(-c3ccc(F)cc3)c(-c3ccnc(OCCCO)n3)[nH]2)OC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.46
GSK3B P49841 5/20 0.40
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
GSK3A P49840 2/20 0.38
EGFR P00533 2/20 0.38

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
SCHEMBL7215207 0.82 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7222285 0.80 MAPK14 (0.44) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6075857 0.79 MAPK14 (0.57) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6808784 0.77 MAPK14 (0.63) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7217782 0.76 MAPK14 (0.46) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5772045 0.75 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770601 0.75 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769365 0.74 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769401 0.73 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773935 0.73 MAPK13 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

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