SCHEMBL7217798

SCHEMBL7217798

CC1(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCO)n3)[nH]2)OCC(C(=O)O)CO1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.48
MAPK13 O15264 7/20 0.48
MAPK12 P53778 7/20 0.48
MAPK11 Q15759 7/20 0.48
BRAF P15056 1/20 0.40
MAPK10 P53779 1/20 0.39

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
SCHEMBL6075673 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7217782 0.81 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6809416 0.80 MAPK13 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767348 0.79 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075875 0.78 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6808788 0.78 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771059 0.77 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7215207 0.77 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771121 0.76 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771243 0.75 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11BRAF

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