SCHEMBL5768469

SCHEMBL5768469

CCCNc1nccc(-c2[nH]c(C3OCC(C)(C(=O)N4CCN(C)CC4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.83
MAPK12 P53778 11/20 0.83
MAPK11 Q15759 11/20 0.83
MAPK14 Q16539 11/20 0.83
BRAF P15056 2/20 0.46

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
SCHEMBL5768123 0.94 MAPK14 (0.83) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769029 0.94 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769721 0.94 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771760 0.93 MAPK14 (0.81) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5773188 0.93 MAPK14 (0.81) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772649 0.93 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769715 0.92 MAPK14 (0.80) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5767180 0.92 MAPK14 (0.80) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772201 0.92 MAPK14 (0.84) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5773438 0.92 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14BRAF

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 3 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