SCHEMBL5771019

SCHEMBL5771019

CCCNc1nccc(-c2[nH]c(C3OCC(C)(N)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.67
MAPK13 O15264 8/20 0.67
MAPK12 P53778 8/20 0.67
MAPK11 Q15759 8/20 0.67
BRAF P15056 3/20 0.49
MAPK10 P53779 2/20 0.45

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
SCHEMBL5772255 0.93 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5770559 0.93 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5773066 0.92 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769983 0.92 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5769717 0.91 MAPK13 (0.72) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5773222 0.91 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5770953 0.91 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769160 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772545 0.90 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5772259 0.90 MAPK14 (0.67) 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 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